3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C19H14ClF3N2O3 — CID 2803712

IUPAC3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2O3/c1-10-16(17(25-28-10)14-5-3-4-6-15(14)20)18(26)24-12-7-11(19(21,22)23)8-13(9-12)27-2/h3-9H,1-2H3,(H,24,26)
InChIKeyNMIFABCLBLPSGQ-UHFFFAOYSA-N
MW410.78 g/mol
LogP5.58
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 2803712) has the molecular formula C19H14ClF3N2O3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID2803712
Molecular FormulaC19H14ClF3N2O3
Molecular Weight410.78 g/mol
Exact Mass410.06
IUPAC Name3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc(C(F)(F)F)c1
InChIInChI=1S/C19H14ClF3N2O3/c1-10-16(17(25-28-10)14-5-3-4-6-15(14)20)18(26)24-12-7-11(19(21,22)23)8-13(9-12)27-2/h3-9H,1-2H3,(H,24,26)
InChIKeyNMIFABCLBLPSGQ-UHFFFAOYSA-N
XLogP5.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.78
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
3-(2-chlorophenyl)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122303196
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(3-carbamoyl-4-methylphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 166186406
3-(2-chlorophenyl)-N-[2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 3443084
3-(2-chlorophenyl)-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,2-oxazole-4-carboxamide
CID 17488472
3-(2-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 50805759
3-(2-chlorophenyl)-N-[4-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3-methylphenyl]-2-methylphenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4521302
3-(2-chlorophenyl)-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 151182618

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 2803712) is 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NMIFABCLBLPSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3/c1-10-16(17(25-28-10)14-5-3-4-6-15(14)20)18(26)24-12-7-11(19(21,22)23)8-13(9-12)27-2/h3-9H,1-2H3,(H,24,26).
What are the key properties of 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 410.78 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2803712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).