5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

C30H23N3O3 — CID 70166545

IUPAC5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N3O3/c1-20(34)31-24-18-16-22(17-19-24)28-27(33-30(36-28)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)21-10-4-2-5-11-21/h2-19H,1H3,(H,31,34)(H,32,35)
InChIKeyOIUBNDQPZSMFLZ-UHFFFAOYSA-N
MW473.53 g/mol
LogP6.89
Rot. Bonds6

About 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 70166545) has the molecular formula C30H23N3O3 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID70166545
Molecular FormulaC30H23N3O3
Molecular Weight473.53 g/mol
Exact Mass473.17
IUPAC Name5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C30H23N3O3/c1-20(34)31-24-18-16-22(17-19-24)28-27(33-30(36-28)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)21-10-4-2-5-11-21/h2-19H,1H3,(H,31,34)(H,32,35)
InChIKeyOIUBNDQPZSMFLZ-UHFFFAOYSA-N
XLogP6.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.53
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660
5-(4-acetamidophenyl)-N-(4-methyl-2-pyridinyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162300
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 10206250
5-(4-acetamidophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70164829
N-[4-(4-acetyl-2-phenyl-1,3-oxazol-5-yl)phenyl]cyclopropanecarboxamide
CID 142162557
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 70167441
5-[4-(butanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70167544
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
N-(4-acetamidophenyl)-5-(2-nitrophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 166154728
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
CID 70165293

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide (CID 70166545) is 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is OIUBNDQPZSMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3/c1-20(34)31-24-18-16-22(17-19-24)28-27(33-30(36-28)23-12-6-3-7-13-23)29(35)32-26-15-9-8-14-25(26)21-10-4-2-5-11-21/h2-19H,1H3,(H,31,34)(H,32,35).
What are the key properties of 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 6.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70166545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).