4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide

C16H15ClN4O3 — CID 5309964

IUPAC4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1Cl
InChIInChI=1S/C16H15ClN4O3/c1-9-12(17)14(24-19-9)15(22)18-13-10(2)20(3)21(16(13)23)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,22)
InChIKeyOZPAYFYSGCSLLS-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.69
Rot. Bonds3

About 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide

4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 5309964) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID5309964
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1Cl
InChIInChI=1S/C16H15ClN4O3/c1-9-12(17)14(24-19-9)15(22)18-13-10(2)20(3)21(16(13)23)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,22)
InChIKeyOZPAYFYSGCSLLS-UHFFFAOYSA-N
XLogP2.69
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
4-Chloro-3-methyl-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide
CID 5307577
4-Chloro-3-methylisoxazol-5-yl 4-(4-fluorophenyl)piperazinyl ketone
CID 5308711
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 9550233
N-benzyl-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 9550479
N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(5-propylisoxazol-3-yl)carbox amide
CID 9550632
4-chloro-3-methyl-N-(4-methylphenyl)-5-isoxazolecarboxamide
CID 9550985
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
CID 9550988
4-Chloro-3-methylisoxazol-5-yl 4-phenylpiperazinyl ketone
CID 17095612
4-chloro-N-(4-cyanophenyl)-3-methylisoxazole-5-carboxamide
CID 24761546
4-chloro-N,3-dimethyl-N-phenylisoxazole-5-carboxamide
CID 6622837
N-(4-chlorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7668119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide (CID 5309964) is 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1Cl.
What is the InChIKey of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is OZPAYFYSGCSLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-9-12(17)14(24-19-9)15(22)18-13-10(2)20(3)21(16(13)23)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,18,22).
What are the key properties of 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide?
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 5309964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).