3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

C19H14ClF3N2O3 — CID 46232485

IUPAC3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2O3/c1-11-16(17(24-28-11)14-5-3-4-6-15(14)20)18(26)25(2)12-7-9-13(10-8-12)27-19(21,22)23/h3-10H,1-2H3
InChIKeyUMPLJMWEIIAGEJ-UHFFFAOYSA-N
MW410.78 g/mol
LogP5.48
Rot. Bonds4

About 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (PubChem CID 46232485) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
PubChem CID46232485
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC Name3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H14ClF3N2O3/c1-11-16(17(24-28-11)14-5-3-4-6-15(14)20)18(26)25(2)12-7-9-13(10-8-12)27-19(21,22)23/h3-10H,1-2H3
InChIKeyUMPLJMWEIIAGEJ-UHFFFAOYSA-N
XLogP5.48
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46232571
3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 1050462
3-(2-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118257
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
3-(2-chloro-6-fluorophenyl)-N-(2-fluoro-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1868174
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2334885
Methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
CID 5524008
TGR5 Receptor Agonist
CID 44605616
N-(3-Chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-4-isoxazolecarboxamide
CID 44605617

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide (CID 46232485) is 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UMPLJMWEIIAGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-11-16(17(24-28-11)14-5-3-4-6-15(14)20)18(26)25(2)12-7-9-13(10-8-12)27-19(21,22)23/h3-10H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).