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

C17H11Cl3N2O2 — CID 985379

IUPAC3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-9-15(16(22-24-9)11-4-2-3-5-12(11)19)17(23)21-14-8-10(18)6-7-13(14)20/h2-8H,1H3,(H,21,23)
InChIKeySEKRPJSPFULZMU-UHFFFAOYSA-N
MW381.65 g/mol
LogP5.86
Rot. Bonds3

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

3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 985379) has the molecular formula C17H11Cl3N2O2 and a molecular weight of 381.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID985379
Molecular FormulaC17H11Cl3N2O2
Molecular Weight381.65 g/mol
Exact Mass379.99
IUPAC Name3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H11Cl3N2O2/c1-9-15(16(22-24-9)11-4-2-3-5-12(11)19)17(23)21-14-8-10(18)6-7-13(14)20/h2-8H,1H3,(H,21,23)
InChIKeySEKRPJSPFULZMU-UHFFFAOYSA-N
XLogP5.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 985379) is 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is SEKRPJSPFULZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2O2/c1-9-15(16(22-24-9)11-4-2-3-5-12(11)19)17(23)21-14-8-10(18)6-7-13(14)20/h2-8H,1H3,(H,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 381.65 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 985379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).