5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide

C30H31N3O4 — CID 70165293

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C30H31N3O4/c1-18-7-16-25(36-6)24(17-18)32-28(35)26-27(20-10-14-23(15-11-20)31-19(2)34)37-29(33-26)21-8-12-22(13-9-21)30(3,4)5/h7-17H,1-6H3,(H,31,34)(H,32,35)
InChIKeyXFCACFPDGGKRTH-UHFFFAOYSA-N
MW497.60 g/mol
LogP6.83
Rot. Bonds6

About 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 70165293) has the molecular formula C30H31N3O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID70165293
Molecular FormulaC30H31N3O4
Molecular Weight497.60 g/mol
Exact Mass497.23
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C30H31N3O4/c1-18-7-16-25(36-6)24(17-18)32-28(35)26-27(20-10-14-23(15-11-20)31-19(2)34)37-29(33-26)21-8-12-22(13-9-21)30(3,4)5/h7-17H,1-6H3,(H,31,34)(H,32,35)
InChIKeyXFCACFPDGGKRTH-UHFFFAOYSA-N
XLogP6.83
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 10206250
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 70166281
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 70168492
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 10230470
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 70165200
N-(2,5-dimethoxyphenyl)-5-[4-(3-methylbutanoylamino)phenyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 142162262
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 70167441
2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 142162625
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
5-(4-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide (CID 70165293) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC(C)=O)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is XFCACFPDGGKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4/c1-18-7-16-25(36-6)24(17-18)32-28(35)26-27(20-10-14-23(15-11-20)31-19(2)34)37-29(33-26)21-8-12-22(13-9-21)30(3,4)5/h7-17H,1-6H3,(H,31,34)(H,32,35).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70165293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).