5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

C21H17ClN4O2 — CID 3236497

IUPAC5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeyNDOUCZODARKCJE-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.80
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide

5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (PubChem CID 3236497) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
PubChem CID3236497
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27)
InChIKeyNDOUCZODARKCJE-UHFFFAOYSA-N
XLogP4.80
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 4867168
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
4,5-dibromo-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19284580
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543
5-(4-methylphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 17022145
N-(2-chloro-4-methylphenyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 112807159
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51129992
5-[(4-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19284570
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
4-[(4-chloropyrazol-1-yl)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]thiophene-2-carboxamide
CID 19490695

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide (CID 3236497) is 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NDOUCZODARKCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-2-4-15(5-3-14)13-26-11-10-20(24-26)23-21(27)18-12-19(28-25-18)16-6-8-17(22)9-7-16/h2-12H,13H2,1H3,(H,23,24,27).
What are the key properties of 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide?
5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3236497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).