5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid

C17H17ClN4O3 — CID 163305096

IUPAC5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid
SMILESCC(CCn1cccn1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H17ClN4O3/c1-11(7-10-22-9-2-8-19-22)20-16-14(17(23)24)15(25-21-16)12-3-5-13(18)6-4-12/h2-6,8-9,11H,7,10H2,1H3,(H,20,21)(H,23,24)
InChIKeyQASURGBHEXDIGK-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.78
Rot. Bonds7

About 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid

5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid (PubChem CID 163305096) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid
PubChem CID163305096
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid
SMILESCC(CCn1cccn1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O
InChIInChI=1S/C17H17ClN4O3/c1-11(7-10-22-9-2-8-19-22)20-16-14(17(23)24)15(25-21-16)12-3-5-13(18)6-4-12/h2-6,8-9,11H,7,10H2,1H3,(H,20,21)(H,23,24)
InChIKeyQASURGBHEXDIGK-UHFFFAOYSA-N
XLogP3.78
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid 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

5-(4-chlorophenyl)-3-[1-(4-methylsulfonylphenyl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163316333
5-(4-chlorophenyl)-3-(2-methoxybutylamino)-1,2-oxazole-4-carboxylic acid
CID 163308093
3-(3-aminopropylamino)-5-(4-chlorophenyl)-1,2-oxazole-4-carboxylic acid
CID 163314238
5-(4-chlorophenyl)-3-[3-(1-methylpyrazol-4-yl)propylamino]-1,2-oxazole-4-carboxylic acid
CID 163310431
5-(4-fluoro-3-methoxyphenyl)-3-[(6-hydroxy-6-methylheptan-2-yl)amino]-1,2-oxazole-4-carboxylic acid
CID 162625834
N-(4-pyrazol-1-ylbutan-2-yl)pyridin-2-amine
CID 115977889
5-(4-chlorophenyl)-3-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 135096426
3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162630892
5-(4-chlorophenyl)-3-[[3-(2-methoxyethyl)imidazol-4-yl]methylamino]-1,2-oxazole-4-carboxylic acid
CID 163315392
5-(4-chlorophenyl)-3-[2-(dimethylamino)ethyl-methylamino]-1,2-oxazole-4-carboxylic acid
CID 163317800
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 135116460
3-[1-(2-ethyl-1,2,4-triazol-3-yl)propylamino]-5-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 163313532

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid (CID 163305096) is 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid is CC(CCn1cccn1)Nc1noc(-c2ccc(Cl)cc2)c1C(=O)O.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid?
The InChIKey is QASURGBHEXDIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-11(7-10-22-9-2-8-19-22)20-16-14(17(23)24)15(25-21-16)12-3-5-13(18)6-4-12/h2-6,8-9,11H,7,10H2,1H3,(H,20,21)(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid?
5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid has a molecular weight of 360.80 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-pyrazol-1-ylbutan-2-ylamino)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 163305096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).