AI53143
5874-61-3 | 4-Benzyl-2-phenyl-2-oxazoline-5-one
Manufacturer: A2B Chem
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CatalogNumber
AI53143
ChemicalName
4-Benzyl-2-phenyl-2-oxazoline-5-one
CasNumber
5874-61-3
MolecularFormula
C16H13NO2
MolecularWeight
251.2799
MdlNumber
MFCD00157349
Smiles
O=C1OC(N=C1Cc1ccccc1)c1ccccc1
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.4
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CatalogNumber: AI53143
ChemicalName: 4-Benzyl-2-phenyl-2-oxazoline-5-one
CasNumber: 5874-61-3
MolecularFormula: C16H13NO2
MolecularWeight: 251.2799
MdlNumber: MFCD00157349
Smiles: O=C1OC(N=C1Cc1ccccc1)c1ccccc1
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.4
CatalogNumber:
AI53143
ChemicalName:
4-Benzyl-2-phenyl-2-oxazoline-5-one
CasNumber:
5874-61-3
MolecularFormula:
C16H13NO2
MolecularWeight:
251.2799
MdlNumber:
MFCD00157349
Smiles:
O=C1OC(N=C1Cc1ccccc1)c1ccccc1
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(NC(=O)C(N)C)C)NC(C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(NC(=O)C(N)C)C)NC(C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI53145
ChemicalName: 4-Ethoxy-4'-cyanobiphenyl
CasNumber: 58743-78-5
MolecularFormula: C15H13NO
MolecularWeight: 223.2698
MdlNumber: MFCD01218033
Smiles: CCOc1ccc(cc1)c1ccc(cc1)C#N
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.6
CatalogNumber:
AI53145
ChemicalName:
4-Ethoxy-4'-cyanobiphenyl
CasNumber:
58743-78-5
MolecularFormula:
C15H13NO
MolecularWeight:
223.2698
MdlNumber:
MFCD01218033
Smiles:
CCOc1ccc(cc1)c1ccc(cc1)C#N
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.6
CatalogNumber: AI53146
ChemicalName: Licochalcone A
CasNumber: 58749-22-7
MolecularFormula: C21H22O4
MolecularWeight: 338.397
MdlNumber: MFCD01417903
Smiles: C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AI53146
ChemicalName:
Licochalcone A
CasNumber:
58749-22-7
MolecularFormula:
C21H22O4
MolecularWeight:
338.397
MdlNumber:
MFCD01417903
Smiles:
C=CC(c1cc(/C=C/C(=O)c2ccc(cc2)O)c(cc1O)OC)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__