5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide

C30H24N4O3 — CID 142162629

IUPAC5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C30H24N4O3/c1-2-20-11-13-22(14-12-20)28(35)32-24-17-15-21(16-18-24)27-26(29(36)33-25-10-6-7-19-31-25)34-30(37-27)23-8-4-3-5-9-23/h3-19H,2H2,1H3,(H,32,35)(H,31,33,36)
InChIKeyABRBOBFERJKXEV-UHFFFAOYSA-N
MW488.55 g/mol
LogP6.47
Rot. Bonds7

About 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide

5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 142162629) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID142162629
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C30H24N4O3/c1-2-20-11-13-22(14-12-20)28(35)32-24-17-15-21(16-18-24)27-26(29(36)33-25-10-6-7-19-31-25)34-30(37-27)23-8-4-3-5-9-23/h3-19H,2H2,1H3,(H,32,35)(H,31,33,36)
InChIKeyABRBOBFERJKXEV-UHFFFAOYSA-N
XLogP6.47
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-[(4-fluorobenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide
CID 70168521
5-(4-acetamidophenyl)-N-(4-methyl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162300
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
1-(4-ethylphenyl)-3-pyridin-2-ylurea
CID 6469550
N-(4-ethylphenyl)benzamide
CID 774063
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70164829

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide (CID 142162629) is 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide is CCc1ccc(C(=O)Nc2ccc(-c3oc(-c4ccccc4)nc3C(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is ABRBOBFERJKXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-2-20-11-13-22(14-12-20)28(35)32-24-17-15-21(16-18-24)27-26(29(36)33-25-10-6-7-19-31-25)34-30(37-27)23-8-4-3-5-9-23/h3-19H,2H2,1H3,(H,32,35)(H,31,33,36).
What are the key properties of 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide?
5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 488.55 g/mol, XLogP of 6.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-ethylbenzoyl)amino]phenyl]-2-phenyl-N-pyridin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).