3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C19H17F3N2O4 — CID 20869157

IUPAC3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)Nc3ccccc3C(F)(F)F)C2)c1OC
InChIInChI=1S/C19H17F3N2O4/c1-26-15-9-5-6-11(17(15)27-2)14-10-16(28-24-14)18(25)23-13-8-4-3-7-12(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H,23,25)
InChIKeyWJPKFYDZCJCGPR-UHFFFAOYSA-N
MW394.35 g/mol
LogP3.85
Rot. Bonds5

About 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869157) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869157
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)Nc3ccccc3C(F)(F)F)C2)c1OC
InChIInChI=1S/C19H17F3N2O4/c1-26-15-9-5-6-11(17(15)27-2)14-10-16(28-24-14)18(25)23-13-8-4-3-7-12(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H,23,25)
InChIKeyWJPKFYDZCJCGPR-UHFFFAOYSA-N
XLogP3.85
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-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

N-[(2-methoxyphenyl)methyl]-3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 16745462
(5S)-N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638409
N-(2,6-dimethylphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493638
(5R)-3-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28815180
3-(2-methoxyphenyl)-N-pyridin-4-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493623
(5R)-N-(5-bromo-2-hydroxyphenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638390
[3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 20869160
(5S)-N-[(4-fluorophenyl)methyl]-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40638425
3-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 43150160
N-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493636
(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 6966211
1-oxo-N-[2-(trifluoromethyl)phenyl]-3,4-dihydroisochromene-3-carboxamide
CID 5111630

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869157) is 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(C2=NOC(C(=O)Nc3ccccc3C(F)(F)F)C2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WJPKFYDZCJCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c1-26-15-9-5-6-11(17(15)27-2)14-10-16(28-24-14)18(25)23-13-8-4-3-7-12(13)19(20,21)22/h3-9,16H,10H2,1-2H3,(H,23,25).
What are the key properties of 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).