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

C21H17ClN4O3 — CID 15988864

IUPAC5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H17ClN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyBUZBFQAJRHVBOV-UHFFFAOYSA-N
MW408.85 g/mol
LogP4.05
Rot. Bonds4

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

5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (PubChem CID 15988864) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
PubChem CID15988864
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC Name5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
SMILESCc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H17ClN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyBUZBFQAJRHVBOV-UHFFFAOYSA-N
XLogP4.05
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
N-cyclopentyl-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 1093826
5-(2-chlorophenyl)-N-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093850
5-(2-chlorophenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 1093858
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(4-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 6619223
5-(3-chlorophenyl)-N-cyclopentyl-3-isoxazolecarboxamide
CID 15993274
5-Phenylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 1250455
5-(4-Chlorophenyl)isoxazol-3-yl 4-phenylpiperazinyl ketone
CID 17252726
5-benzyl-N-[(3S)-1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-1,2-oxazole-3-carboxamide
CID 127033642
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide (CID 15988864) is 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is Cc1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BUZBFQAJRHVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c1-13-19(21(28)26(25(13)2)16-6-4-3-5-7-16)23-20(27)17-12-18(29-24-17)14-8-10-15(22)11-9-14/h3-12H,1-2H3,(H,23,27).
What are the key properties of 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 15988864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).