3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

C20H17F3N2O3 — CID 92767787

IUPAC3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H17F3N2O3/c1-12(14-6-4-3-5-7-14)24-19(26)17-13(2)25-28-18(17)15-8-10-16(11-9-15)27-20(21,22)23/h3-12H,1-2H3,(H,24,26)/t12-/m1/s1
InChIKeyKNIJVVJPEYOJGR-GFCCVEGCSA-N
MW390.36 g/mol
LogP5.04
Rot. Bonds5

About 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 92767787) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID92767787
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C20H17F3N2O3/c1-12(14-6-4-3-5-7-14)24-19(26)17-13(2)25-28-18(17)15-8-10-16(11-9-15)27-20(21,22)23/h3-12H,1-2H3,(H,24,26)/t12-/m1/s1
InChIKeyKNIJVVJPEYOJGR-GFCCVEGCSA-N
XLogP5.04
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[(2S)-4-phenylbutan-2-yl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 92768024
5-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]-1,2-oxazole-4-carboxamide
CID 51699745
N-[5-(diethylamino)pentan-2-yl]-3-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 46097293
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methyl-5-pyridin-3-yl-1,2-oxazole-4-carboxamide
CID 46097161
5-(2-methoxyphenyl)-3-methyl-N-(1-phenylethyl)-1,2-oxazole-4-carboxamide
CID 46096857
N-[(1S)-1-(2-fluorophenyl)ethyl]-3-methyl-5-phenyl-1,2-oxazole-4-carboxamide
CID 59170239
2-iodo-3-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]benzamide
CID 46483070
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 17330097
N-[1-(4-tert-butylphenyl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17218074
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
(2R)-2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]-2-phenylacetic acid
CID 29140347
3,5-dimethyl-N-(1-pyridin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 3632907

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 92767787) is 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1noc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is KNIJVVJPEYOJGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-12(14-6-4-3-5-7-14)24-19(26)17-13(2)25-28-18(17)15-8-10-16(11-9-15)27-20(21,22)23/h3-12H,1-2H3,(H,24,26)/t12-/m1/s1.
What are the key properties of 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 390.36 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R)-1-phenylethyl]-5-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 92767787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).