2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide

C29H37N3O2 — CID 142162088

IUPAC2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C29H37N3O2/c1-19-9-7-8-10-24(19)30-27(33)25-26(20-13-17-23(18-14-20)32(5)6)34-28(31-25)21-11-15-22(16-12-21)29(2,3)4/h11-19,24H,7-10H2,1-6H3,(H,30,33)
InChIKeySTHMOBKLDQIXHN-UHFFFAOYSA-N
MW459.63 g/mol
LogP6.68
Rot. Bonds5

About 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide

2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide (PubChem CID 142162088) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide
PubChem CID142162088
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide
SMILESCC1CCCCC1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C29H37N3O2/c1-19-9-7-8-10-24(19)30-27(33)25-26(20-13-17-23(18-14-20)32(5)6)34-28(31-25)21-11-15-22(16-12-21)29(2,3)4/h11-19,24H,7-10H2,1-6H3,(H,30,33)
InChIKeySTHMOBKLDQIXHN-UHFFFAOYSA-N
XLogP6.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 142162430
[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 142162458
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7562747
N-(1,3-benzodioxol-5-ylmethyl)-5-[4-(dimethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 70166234
N-[(1R,2R)-2-methylcyclohexyl]-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9084335
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
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-(4-tert-butylphenyl)-N-(4-piperidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 10230470
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
2-[4-(1,1-difluoroethyl)phenyl]-5-[4-(dimethylamino)phenyl]-N-ethyl-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 142162550
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
[5-[4-(dimethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70167063

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide (CID 142162088) is 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide is CC1CCCCC1NC(=O)c1nc(-c2ccc(C(C)(C)C)cc2)oc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide?
The InChIKey is STHMOBKLDQIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-19-9-7-8-10-24(19)30-27(33)25-26(20-13-17-23(18-14-20)32(5)6)34-28(31-25)21-11-15-22(16-12-21)29(2,3)4/h11-19,24H,7-10H2,1-6H3,(H,30,33).
What are the key properties of 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide?
2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-N-(2-methylcyclohexyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).