2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide

C23H19N3O2 — CID 3835810

IUPAC2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)NC(c3ccccc3)c3ccccc3)co2)cc1
InChIInChI=1S/C23H19N3O2/c24-19-13-11-18(12-14-19)23-25-20(15-28-23)22(27)26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,24H2,(H,26,27)
InChIKeyFLIZIZYSJIQFTC-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.44
Rot. Bonds5

About 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide

2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (PubChem CID 3835810) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
PubChem CID3835810
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESNc1ccc(-c2nc(C(=O)NC(c3ccccc3)c3ccccc3)co2)cc1
InChIInChI=1S/C23H19N3O2/c24-19-13-11-18(12-14-19)23-25-20(15-28-23)22(27)26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,24H2,(H,26,27)
InChIKeyFLIZIZYSJIQFTC-UHFFFAOYSA-N
XLogP4.44
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089
2-(4-aminophenyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3857565
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
2-(4-aminophenyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3871183
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
2-(4-aminophenyl)-N-hexadecyl-1,3-oxazole-4-carboxamide
CID 3847962

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (CID 3835810) is 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is Nc1ccc(-c2nc(C(=O)NC(c3ccccc3)c3ccccc3)co2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The InChIKey is FLIZIZYSJIQFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-19-13-11-18(12-14-19)23-25-20(15-28-23)22(27)26-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,21H,24H2,(H,26,27).
What are the key properties of 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3835810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).