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

C16H15ClN4O3 — CID 110928423

IUPACN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)no1
InChIInChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)16(23)18-15-9-13(19-21(15)6-7-22)11-2-4-12(17)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,18,23)
InChIKeyZPMPYTWKKFZZGE-UHFFFAOYSA-N
MW346.77 g/mol
LogP2.74
Rot. Bonds5

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

N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 110928423) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID110928423
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)no1
InChIInChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)16(23)18-15-9-13(19-21(15)6-7-22)11-2-4-12(17)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,18,23)
InChIKeyZPMPYTWKKFZZGE-UHFFFAOYSA-N
XLogP2.74
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-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

Related Compounds

N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylimidazole-4-carboxamide
CID 136543276
1-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-prop-2-ynylurea
CID 110929154
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-(1H-pyrazol-5-yl)acetamide
CID 111477338
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-2-methylpyrazole-3-carboxamide
CID 71933982
N-[3-(3-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-3-methylfuran-2-carboxamide
CID 110928375
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]furan-3-carboxamide
CID 110928395
N-(4-chloro-2-iodophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 103766897
N-[1-(2-hydroxyethyl)-3-(4-propylphenyl)pyrazol-5-yl]-2-methylpropanamide
CID 110928398
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
5-(4-chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
CID 15988870
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 110928423) is N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)no1.
What is the InChIKey of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is ZPMPYTWKKFZZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10-8-14(20-24-10)16(23)18-15-9-13(19-21(15)6-7-22)11-2-4-12(17)5-3-11/h2-5,8-9,22H,6-7H2,1H3,(H,18,23).
What are the key properties of N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110928423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).