3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide

C15H13ClN4O2 — CID 11963244

IUPAC3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2c(-c3ccc(Cl)cc3)noc2C)n1
InChIInChI=1S/C15H13ClN4O2/c1-9-13(12-7-8-20(18-12)15(21)17-2)14(19-22-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,21)
InChIKeyZIPWHLOZAWXJQG-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.35
Rot. Bonds2

About 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide

3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide (PubChem CID 11963244) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
PubChem CID11963244
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2c(-c3ccc(Cl)cc3)noc2C)n1
InChIInChI=1S/C15H13ClN4O2/c1-9-13(12-7-8-20(18-12)15(21)17-2)14(19-22-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,21)
InChIKeyZIPWHLOZAWXJQG-UHFFFAOYSA-N
XLogP3.35
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
CID 11963286
1-[3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-methylpyrazol-1-yl]-2-methylpropan-1-one
CID 58752275
5-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-propan-2-ylpyrazole-1-carboxamide
CID 2745572
3-(4-chlorophenyl)-5-methyl-4-(1H-pyrazol-5-yl)-1,2-oxazole
CID 2745567
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-(2,5-dichlorothiophen-3-yl)pyrazole-1-carboxamide
CID 5092510
2-bromo-1-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 46741259
3-(4-chlorophenyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22746037
3-(4-chlorophenyl)-4-[2-(4-chlorophenyl)sulfonylpyrazol-3-yl]-5-methyl-1,2-oxazole
CID 2745582
N-(4-chlorophenyl)-N,5-dimethyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 46232569
N-(4-chlorophenyl)-3-phenylpyrazole-1-carboxamide
CID 141029463
2-[4-(4-chlorophenyl)-3-methyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl]acetic acid
CID 10245414
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide?
The IUPAC name of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide (CID 11963244) is 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide?
The canonical SMILES for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide is CNC(=O)n1ccc(-c2c(-c3ccc(Cl)cc3)noc2C)n1.
What is the InChIKey of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide?
The InChIKey is ZIPWHLOZAWXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9-13(12-7-8-20(18-12)15(21)17-2)14(19-22-9)10-3-5-11(16)6-4-10/h3-8H,1-2H3,(H,17,21).
What are the key properties of 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide?
3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 11963244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).