N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

C18H13Cl3N2O2 — CID 1370622

IUPACN-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C18H13Cl3N2O2/c1-9-6-7-11(19)8-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)
InChIKeyOXNMWXTYHZLPMW-UHFFFAOYSA-N
MW395.67 g/mol
LogP6.17
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1370622) has the molecular formula C18H13Cl3N2O2 and a molecular weight of 395.67 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1370622
Molecular FormulaC18H13Cl3N2O2
Molecular Weight395.67 g/mol
Exact Mass394.00
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C18H13Cl3N2O2/c1-9-6-7-11(19)8-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)
InChIKeyOXNMWXTYHZLPMW-UHFFFAOYSA-N
XLogP6.17
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2,6-Dichloro-4-(3,5-dimethylisoxazol-4-yl)phenyl)amino)-N-hydroxybenzamide
CID 138454779
6-Chloro-3-(3-methylisoxazol-5-YL)-4-phenylquinolin-2(1H)-one
CID 135457822
[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 743794
1-{[3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl]carbonyl}indoline
CID 1160933
3-(2-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1221269
3-(2-chloro-6-fluorophenyl)-N-(2-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1343287
N-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}-N'-(4-isopropylphenyl)thiourea
CID 2809351
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 1241573
5-methyl-N-(2-methyl-6-propan-2-ylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 898330
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-benzyl-3-(2,6-dichlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 1368511
N-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 741138

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1370622) is N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is OXNMWXTYHZLPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O2/c1-9-6-7-11(19)8-14(9)22-18(24)15-10(2)25-23-17(15)16-12(20)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 395.67 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1370622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).