N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H14Cl2N2O3 — CID 1070119

IUPACN-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C18H14Cl2N2O3/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)20)18(23)21-14-9-11(19)7-8-15(14)24-2/h3-9H,1-2H3,(H,21,23)
InChIKeyXAGGDKYGIBEGNW-UHFFFAOYSA-N
MW377.23 g/mol
LogP5.22
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1070119) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1070119
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C
InChIInChI=1S/C18H14Cl2N2O3/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)20)18(23)21-14-9-11(19)7-8-15(14)24-2/h3-9H,1-2H3,(H,21,23)
InChIKeyXAGGDKYGIBEGNW-UHFFFAOYSA-N
XLogP5.22
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1222128
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
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-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
3-(2-chlorophenyl)-N-[2-methoxy-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122323568
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-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
3-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1070606
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78829449
3-(2-chlorophenyl)-N-[5-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 44956826

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1070119) is N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2Cl)noc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is XAGGDKYGIBEGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)20)18(23)21-14-9-11(19)7-8-15(14)24-2/h3-9H,1-2H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1070119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).