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

C28H28N4O3 — CID 70165200

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C28H28N4O3/c1-18(33)31-23-11-7-20(8-12-23)25-24(26(34)30-17-19-13-15-29-16-14-19)32-27(35-25)21-5-9-22(10-6-21)28(2,3)4/h5-16H,17H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyIDFPKIMLNJBABE-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.59
Rot. Bonds6

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

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 70165200) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID70165200
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C28H28N4O3/c1-18(33)31-23-11-7-20(8-12-23)25-24(26(34)30-17-19-13-15-29-16-14-19)32-27(35-25)21-5-9-22(10-6-21)28(2,3)4/h5-16H,17H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyIDFPKIMLNJBABE-UHFFFAOYSA-N
XLogP5.59
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 70166281
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-methyl-N-phenyl-1,3-oxazole-4-carboxamide
CID 142162601
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-(2-methoxy-5-methylphenyl)-1,3-oxazole-4-carboxamide
CID 70165293
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
4-N-(4-tert-butylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087648
N-[4-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]phenyl]acetamide
CID 70167367
5-(4-acetamidophenyl)-2-phenyl-N-(2-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 70166545

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide (CID 70165200) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IDFPKIMLNJBABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-18(33)31-23-11-7-20(8-12-23)25-24(26(34)30-17-19-13-15-29-16-14-19)32-27(35-25)21-5-9-22(10-6-21)28(2,3)4/h5-16H,17H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 5.59, 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-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70165200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).