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

C15H13ClN4O2 — CID 155916731

IUPACN-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cnn(Cc2ccccc2Cl)c1NC(=O)c1ccno1
InChIInChI=1S/C15H13ClN4O2/c1-10-8-17-20(9-11-4-2-3-5-12(11)16)14(10)19-15(21)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVFDUWCPWRQGDTE-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.13
Rot. Bonds4

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

N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide (PubChem CID 155916731) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide
PubChem CID155916731
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cnn(Cc2ccccc2Cl)c1NC(=O)c1ccno1
InChIInChI=1S/C15H13ClN4O2/c1-10-8-17-20(9-11-4-2-3-5-12(11)16)14(10)19-15(21)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,19,21)
InChIKeyVFDUWCPWRQGDTE-UHFFFAOYSA-N
XLogP3.13
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(aminomethyl)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]piperidine-1-carboxamide
CID 125156367
(3R)-N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(methoxymethyl)piperidine-1-carboxamide
CID 125162851
4-chloro-2-[(2-chlorophenyl)methyl]-5-methylpyridazin-3-one
CID 129240521
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 4248327
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19412098
N-[(5-methyl-1,2-oxazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 121172381
1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-(2-methylphenyl)pyrazole-4-carboxamide
CID 8713967
N-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 90561959
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 23566060

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide (CID 155916731) is N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide is Cc1cnn(Cc2ccccc2Cl)c1NC(=O)c1ccno1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is VFDUWCPWRQGDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-10-8-17-20(9-11-4-2-3-5-12(11)16)14(10)19-15(21)13-6-7-18-22-13/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155916731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).