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

C29H29N3O3 — CID 142162601

IUPAC5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-19(33)30-23-17-13-20(14-18-23)26-25(28(34)32(5)24-9-7-6-8-10-24)31-27(35-26)21-11-15-22(16-12-21)29(2,3)4/h6-18H,1-5H3,(H,30,33)
InChIKeyYRYLBMMXCCSJHA-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.54
Rot. Bonds5

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

5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 142162601) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
PubChem CID142162601
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C29H29N3O3/c1-19(33)30-23-17-13-20(14-18-23)26-25(28(34)32(5)24-9-7-6-8-10-24)31-27(35-26)21-11-15-22(16-12-21)29(2,3)4/h6-18H,1-5H3,(H,30,33)
InChIKeyYRYLBMMXCCSJHA-UHFFFAOYSA-N
XLogP6.54
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide (CID 142162601) is 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide is CC(=O)Nc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is YRYLBMMXCCSJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-19(33)30-23-17-13-20(14-18-23)26-25(28(34)32(5)24-9-7-6-8-10-24)31-27(35-26)21-11-15-22(16-12-21)29(2,3)4/h6-18H,1-5H3,(H,30,33).
What are the key properties of 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-methyl-N-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).