AG69073
6501-72-0 | (3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AG69073
ChemicalName
(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
CasNumber
6501-72-0
MolecularFormula
C11H11NO3
MolecularWeight
205.2099
MdlNumber
MFCD08696167
Smiles
OC(=O)CC1ON=C(C1)c1ccccc1
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AG69073
ChemicalName: (3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
CasNumber: 6501-72-0
MolecularFormula: C11H11NO3
MolecularWeight: 205.2099
MdlNumber: MFCD08696167
Smiles: OC(=O)CC1ON=C(C1)c1ccccc1
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AG69073
ChemicalName:
(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
CasNumber:
6501-72-0
MolecularFormula:
C11H11NO3
MolecularWeight:
205.2099
MdlNumber:
MFCD08696167
Smiles:
OC(=O)CC1ON=C(C1)c1ccccc1
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C\C(=O)O.COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C\C(=O)O.COc1ccccc1N1CCN(CC1)CCN(C(=O)C1CCCCC1)c1ccccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C
Complexity: 768
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 5.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C
Complexity:
768
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
5.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)COc1ccc(cc1Cl)Br
Complexity: 800
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(n1)C)COc1ccc(cc1Cl)Br
Complexity:
800
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4.8