2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide

C29H28F3N3O3 — CID 142162625

IUPAC2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C29H28F3N3O3/c1-28(2,3)19-10-6-18(7-11-19)27-35-24(25(38-27)17-8-12-21(33-4)13-9-17)26(36)34-22-14-20(29(30,31)32)15-23(16-22)37-5/h6-16,33H,1-5H3,(H,34,36)
InChIKeyBLIHTLOPNMLZKO-UHFFFAOYSA-N
MW523.56 g/mol
LogP7.63
Rot. Bonds6

About 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide

2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 142162625) has the molecular formula C29H28F3N3O3 and a molecular weight of 523.56 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID142162625
Molecular FormulaC29H28F3N3O3
Molecular Weight523.56 g/mol
Exact Mass523.21
IUPAC Name2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)cc1
InChIInChI=1S/C29H28F3N3O3/c1-28(2,3)19-10-6-18(7-11-19)27-35-24(25(38-27)17-8-12-21(33-4)13-9-17)26(36)34-22-14-20(29(30,31)32)15-23(16-22)37-5/h6-16,33H,1-5H3,(H,34,36)
InChIKeyBLIHTLOPNMLZKO-UHFFFAOYSA-N
XLogP7.63
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.56
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-2-(4-tert-butylphenyl)-N-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 10206250
ethyl 2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxylate
CID 70164872
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-(5-methyl-1,2-oxazol-3-yl)-1,3-oxazole-4-carboxamide
CID 70166281
5-[4-[(4-methoxybenzoyl)amino]phenyl]-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 70168568
[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70166259
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-phenylphenyl)-1,3-oxazole-4-carboxamide
CID 142162588
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
5-(4-acetamidophenyl)-2-(4-tert-butylphenyl)-N-(pyridin-4-ylmethyl)-1,3-oxazole-4-carboxamide
CID 70165200

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide (CID 142162625) is 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide is CNc1ccc(-c2oc(-c3ccc(C(C)(C)C)cc3)nc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is BLIHTLOPNMLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F3N3O3/c1-28(2,3)19-10-6-18(7-11-19)27-35-24(25(38-27)17-8-12-21(33-4)13-9-17)26(36)34-22-14-20(29(30,31)32)15-23(16-22)37-5/h6-16,33H,1-5H3,(H,34,36).
What are the key properties of 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide?
2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 523.56 g/mol, XLogP of 7.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-[4-(methylamino)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).