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

C19H16Cl2N2O3 — CID 1222128

IUPAC3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C19H16Cl2N2O3/c1-10-7-8-15(25-3)14(9-10)22-19(24)16-11(2)26-23-18(16)17-12(20)5-4-6-13(17)21/h4-9H,1-3H3,(H,22,24)
InChIKeyKEJOJLRLASFZTK-UHFFFAOYSA-N
MW391.25 g/mol
LogP5.53
Rot. Bonds4

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

3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 1222128) has the molecular formula C19H16Cl2N2O3 and a molecular weight of 391.25 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID1222128
Molecular FormulaC19H16Cl2N2O3
Molecular Weight391.25 g/mol
Exact Mass390.05
IUPAC Name3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C
InChIInChI=1S/C19H16Cl2N2O3/c1-10-7-8-15(25-3)14(9-10)22-19(24)16-11(2)26-23-18(16)17-12(20)5-4-6-13(17)21/h4-9H,1-3H3,(H,22,24)
InChIKeyKEJOJLRLASFZTK-UHFFFAOYSA-N
XLogP5.53
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.25
LogP ≤ 55.53
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
N-(3-chloro-4-methoxyphenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55572102
3-(2-chloro-6-fluorophenyl)-N-(2-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1129473
3-(2,6-dichlorophenyl)-N-[(2,5-dimethoxyphenyl)carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1255827
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119
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-(2,6-dichlorophenyl)-N-(2-ethoxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1365098
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
3-(2,6-dichlorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1369580
2-N-(2-chlorophenyl)-6-N-(2-methoxy-5-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100814
3-(2-chloro-6-fluorophenyl)-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 9209306
3-(2,6-dichlorophenyl)-N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1008270

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 1222128) is 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is COc1ccc(C)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is KEJOJLRLASFZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3/c1-10-7-8-15(25-3)14(9-10)22-19(24)16-11(2)26-23-18(16)17-12(20)5-4-6-13(17)21/h4-9H,1-3H3,(H,22,24).
What are the key properties of 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 391.25 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-(2-methoxy-5-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1222128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).