N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C19H16Cl2N2O2 — CID 44605617

IUPACN-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
InChIKeyWRRGABWWSIAMMJ-UHFFFAOYSA-N
MW375.26 g/mol
LogP5.54
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 44605617) has the molecular formula C19H16Cl2N2O2 and a molecular weight of 375.26 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID44605617
Molecular FormulaC19H16Cl2N2O2
Molecular Weight375.26 g/mol
Exact Mass374.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3
InChIKeyWRRGABWWSIAMMJ-UHFFFAOYSA-N
XLogP5.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.26
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 44605617) is N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is WRRGABWWSIAMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(2-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 44605617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).