3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

C17H15ClN4O2 — CID 717543

IUPAC3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-8-10(2)20-17(19-9)21-16(23)14-11(3)24-22-15(14)12-6-4-5-7-13(12)18/h4-8H,1-3H3,(H,19,20,21,23)
InChIKeyZLCTYUACTPADHN-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.96
Rot. Bonds3

About 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 717543) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID717543
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1
InChIInChI=1S/C17H15ClN4O2/c1-9-8-10(2)20-17(19-9)21-16(23)14-11(3)24-22-15(14)12-6-4-5-7-13(12)18/h4-8H,1-3H3,(H,19,20,21,23)
InChIKeyZLCTYUACTPADHN-UHFFFAOYSA-N
XLogP3.96
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide (CID 717543) is 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZLCTYUACTPADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-8-10(2)20-17(19-9)21-16(23)14-11(3)24-22-15(14)12-6-4-5-7-13(12)18/h4-8H,1-3H3,(H,19,20,21,23).
What are the key properties of 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 717543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).