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

C29H29N3O4 — CID 10206250

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H29N3O4/c1-18(33)30-22-16-12-19(13-17-22)26-25(27(34)31-23-8-6-7-9-24(23)35-5)32-28(36-26)20-10-14-21(15-11-20)29(2,3)4/h6-17H,1-5H3,(H,30,33)(H,31,34)
InChIKeyMZEOGEHOWUROHV-UHFFFAOYSA-N
MW483.57 g/mol
LogP6.53
Rot. Bonds6

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

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 10206250) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
PubChem CID10206250
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(NC(C)=O)cc1
InChIInChI=1S/C29H29N3O4/c1-18(33)30-22-16-12-19(13-17-22)26-25(27(34)31-23-8-6-7-9-24(23)35-5)32-28(36-26)20-10-14-21(15-11-20)29(2,3)4/h6-17H,1-5H3,(H,30,33)(H,31,34)
InChIKeyMZEOGEHOWUROHV-UHFFFAOYSA-N
XLogP6.53
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
CID 70165293
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 70168492
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 70166281
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-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 70167441
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
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
2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 142162625
5-(4-acetamidophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 158019660

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide (CID 10206250) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide is COc1ccccc1NC(=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-methoxyphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MZEOGEHOWUROHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-18(33)30-22-16-12-19(13-17-22)26-25(27(34)31-23-8-6-7-9-24(23)35-5)32-28(36-26)20-10-14-21(15-11-20)29(2,3)4/h6-17H,1-5H3,(H,30,33)(H,31,34).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 6.53, 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-methoxyphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 10206250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).