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

C21H17ClN4O2 — CID 4862523

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)no2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-6-16(7-3-14)20-10-19(25-28-20)21(27)24-18-11-23-26(13-18)12-15-4-8-17(22)9-5-15/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyHVJFGOPUVMNYSB-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.80
Rot. Bonds5

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

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 4862523) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID4862523
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)no2)cc1
InChIInChI=1S/C21H17ClN4O2/c1-14-2-6-16(7-3-14)20-10-19(25-28-20)21(27)24-18-11-23-26(13-18)12-15-4-8-17(22)9-5-15/h2-11,13H,12H2,1H3,(H,24,27)
InChIKeyHVJFGOPUVMNYSB-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

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 4862523) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)no2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HVJFGOPUVMNYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-14-2-6-16(7-3-14)20-10-19(25-28-20)21(27)24-18-11-23-26(13-18)12-15-4-8-17(22)9-5-15/h2-11,13H,12H2,1H3,(H,24,27).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-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 N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4862523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).