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

C18H13Cl3N2O3 — CID 55572102

IUPACN-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1Cl
InChIInChI=1S/C18H13Cl3N2O3/c1-9-15(17(23-26-9)16-11(19)4-3-5-12(16)20)18(24)22-10-6-7-14(25-2)13(21)8-10/h3-8H,1-2H3,(H,22,24)
InChIKeyAUXQCIVRJMWNBV-UHFFFAOYSA-N
MW411.67 g/mol
LogP5.87
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 55572102) has the molecular formula C18H13Cl3N2O3 and a molecular weight of 411.67 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID55572102
Molecular FormulaC18H13Cl3N2O3
Molecular Weight411.67 g/mol
Exact Mass410.00
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1Cl
InChIInChI=1S/C18H13Cl3N2O3/c1-9-15(17(23-26-9)16-11(19)4-3-5-12(16)20)18(24)22-10-6-7-14(25-2)13(21)8-10/h3-8H,1-2H3,(H,22,24)
InChIKeyAUXQCIVRJMWNBV-UHFFFAOYSA-N
XLogP5.87
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.67
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 177376733
3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1222128
3-tert-butyl-N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110421424
N-(4-acetylphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1118276
3-(2,6-dichlorophenyl)-5-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-4-carboxamide
CID 31825313
3-(2,6-dichlorophenyl)-5-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1,2-oxazole-4-carboxamide
CID 55572883
N-(3,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2366225
3-(2,6-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1255827
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
N-(3-chloro-4-methoxyphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 2470130
methyl 2-[(2,5-dichlorophenyl)carbamoyl]-4-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
CID 3274138
3-(3-bromophenyl)-N-(3,4-dimethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805848

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 55572102) is N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is AUXQCIVRJMWNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3/c1-9-15(17(23-26-9)16-11(19)4-3-5-12(16)20)18(24)22-10-6-7-14(25-2)13(21)8-10/h3-8H,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 411.67 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).