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

C15H13ClN4O2 — CID 56782243

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-9-14(10(2)22-19-9)15(21)18-11-7-17-20(8-11)13-6-4-3-5-12(13)16/h3-8H,1-2H3,(H,18,21)
InChIKeyXVWZBMWZBDHUMT-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.38
Rot. Bonds3

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

N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 56782243) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID56782243
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN4O2/c1-9-14(10(2)22-19-9)15(21)18-11-7-17-20(8-11)13-6-4-3-5-12(13)16/h3-8H,1-2H3,(H,18,21)
InChIKeyXVWZBMWZBDHUMT-UHFFFAOYSA-N
XLogP3.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 56782243) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is XVWZBMWZBDHUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9-14(10(2)22-19-9)15(21)18-11-7-17-20(8-11)13-6-4-3-5-12(13)16/h3-8H,1-2H3,(H,18,21).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56782243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).