5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide

C26H26N4O4 — CID 70166281

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C26H26N4O4/c1-15-14-21(30-34-15)28-24(32)22-23(17-8-12-20(13-9-17)27-16(2)31)33-25(29-22)18-6-10-19(11-7-18)26(3,4)5/h6-14H,1-5H3,(H,27,31)(H,28,30,32)
InChIKeySDHLNQDHBGMGDA-UHFFFAOYSA-N
MW458.52 g/mol
LogP5.81
Rot. Bonds5

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

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 70166281) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID70166281
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C26H26N4O4/c1-15-14-21(30-34-15)28-24(32)22-23(17-8-12-20(13-9-17)27-16(2)31)33-25(29-22)18-6-10-19(11-7-18)26(3,4)5/h6-14H,1-5H3,(H,27,31)(H,28,30,32)
InChIKeySDHLNQDHBGMGDA-UHFFFAOYSA-N
XLogP5.81
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.52
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-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-acetamidophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 70166876
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-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 10206250
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
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-[3-methoxy-5-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 70168492
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
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-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
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-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide (CID 70166281) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is SDHLNQDHBGMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-15-14-21(30-34-15)28-24(32)22-23(17-8-12-20(13-9-17)27-16(2)31)33-25(29-22)18-6-10-19(11-7-18)26(3,4)5/h6-14H,1-5H3,(H,27,31)(H,28,30,32).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 458.52 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70166281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).