5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide

C21H22N2O2 — CID 95738529

IUPAC5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-16(17-7-5-4-6-8-17)14-22-21(24)19-13-20(25-23-19)18-11-9-15(2)10-12-18/h4-13,16H,3,14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCSFGRBQCMSTAJC-INIZCTEOSA-N
MW334.42 g/mol
LogP4.57
Rot. Bonds6

About 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide

5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide (PubChem CID 95738529) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
PubChem CID95738529
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-3-16(17-7-5-4-6-8-17)14-22-21(24)19-13-20(25-23-19)18-11-9-15(2)10-12-18/h4-13,16H,3,14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyCSFGRBQCMSTAJC-INIZCTEOSA-N
XLogP4.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 45132897
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[2-(methylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120827875
N-(3-hydroxy-2-methylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 65031495
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 50754415
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
N-[(2S)-2-(dimethylamino)-2-(4-ethoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 35582660
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 43843486
5-(4-ethoxyphenyl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39866513

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide (CID 95738529) is 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide is CC[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccccc1.
What is the InChIKey of 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CSFGRBQCMSTAJC-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-16(17-7-5-4-6-8-17)14-22-21(24)19-13-20(25-23-19)18-11-9-15(2)10-12-18/h4-13,16H,3,14H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide?
5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-[(2R)-2-phenylbutyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95738529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).