(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate

C21H17N3O3 — CID 55447938

IUPAC(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H17N3O3/c25-20(13-18-15-27-21(23-18)17-5-2-1-3-6-17)26-14-16-7-9-19(10-8-16)24-12-4-11-22-24/h1-12,15H,13-14H2
InChIKeyWQZLHULJHMTZAV-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.81
Rot. Bonds6

About (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate

(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (PubChem CID 55447938) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.

Molecular Properties

Compound Name(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
PubChem CID55447938
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate
SMILESO=C(Cc1coc(-c2ccccc2)n1)OCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H17N3O3/c25-20(13-18-15-27-21(23-18)17-5-2-1-3-6-17)26-14-16-7-9-19(10-8-16)24-12-4-11-22-24/h1-12,15H,13-14H2
InChIKeyWQZLHULJHMTZAV-UHFFFAOYSA-N
XLogP3.81
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate 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 (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The IUPAC name of (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate (CID 55447938) is (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate.
What is the SMILES notation for (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The canonical SMILES for (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is O=C(Cc1coc(-c2ccccc2)n1)OCc1ccc(-n2cccn2)cc1.
What is the InChIKey of (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
The InChIKey is WQZLHULJHMTZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-20(13-18-15-27-21(23-18)17-5-2-1-3-6-17)26-14-16-7-9-19(10-8-16)24-12-4-11-22-24/h1-12,15H,13-14H2.
What are the key properties of (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate?
(4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate has a molecular weight of 359.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazol-1-ylphenyl)methyl 2-(2-phenyl-1,3-oxazol-4-yl)acetate is sourced from PubChem (CID 55447938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).