AB51384
118994-84-6 | Oxazole-4-carboxaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB51384
ChemicalName
Oxazole-4-carboxaldehyde
CasNumber
118994-84-6
MolecularFormula
C4H3NO2
MolecularWeight
97.0721
MdlNumber
MFCD02179512
Smiles
O=Cc1cocn1
Complexity
74.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AB51384
ChemicalName: Oxazole-4-carboxaldehyde
CasNumber: 118994-84-6
MolecularFormula: C4H3NO2
MolecularWeight: 97.0721
MdlNumber: MFCD02179512
Smiles: O=Cc1cocn1
Complexity: 74.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AB51384
ChemicalName:
Oxazole-4-carboxaldehyde
CasNumber:
118994-84-6
MolecularFormula:
C4H3NO2
MolecularWeight:
97.0721
MdlNumber:
MFCD02179512
Smiles:
O=Cc1cocn1
Complexity:
74.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(c(c1)C)N1CCOCC1
Complexity: 180
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(c(c1)C)N1CCOCC1
Complexity:
180
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4
CatalogNumber: AB51386
ChemicalName: Raltitrexed
CasNumber: 112887-68-0
MolecularFormula: C21H22N4O6S
MolecularWeight: 458.4876
MdlNumber: MFCD12828867
Smiles: OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(CC1C=CC2=NC(=NC(=O)C2=C1)C)C
Complexity: 790
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 9
RotatableBondCount: 9
Xlogp3: 1.4
CatalogNumber:
AB51386
ChemicalName:
Raltitrexed
CasNumber:
112887-68-0
MolecularFormula:
C21H22N4O6S
MolecularWeight:
458.4876
MdlNumber:
MFCD12828867
Smiles:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(s1)N(CC1C=CC2=NC(=NC(=O)C2=C1)C)C
Complexity:
790
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
9
RotatableBondCount:
9
Xlogp3:
1.4
CatalogNumber: AB51387
ChemicalName: 1-Phenyl-1H-pyrazol-3-amine
CasNumber: 1128-56-9
MolecularFormula: C9H9N3
MolecularWeight: 159.1879
MdlNumber: MFCD00100520
Smiles: Nc1ccn(n1)c1ccccc1
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB51387
ChemicalName:
1-Phenyl-1H-pyrazol-3-amine
CasNumber:
1128-56-9
MolecularFormula:
C9H9N3
MolecularWeight:
159.1879
MdlNumber:
MFCD00100520
Smiles:
Nc1ccn(n1)c1ccccc1
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.5