5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

C19H15FN4O2 — CID 53138497

IUPAC5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F
InChIInChI=1S/C19H15FN4O2/c1-24-16(8-9-21-24)12-4-3-5-13(10-12)18-22-19(26-23-18)14-6-7-17(25-2)15(20)11-14/h3-11H,1-2H3
InChIKeyRWDIZZIWMNBWSB-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.95
Rot. Bonds4

About 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole

5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138497) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138497
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F
InChIInChI=1S/C19H15FN4O2/c1-24-16(8-9-21-24)12-4-3-5-13(10-12)18-22-19(26-23-18)14-6-7-17(25-2)15(20)11-14/h3-11H,1-2H3
InChIKeyRWDIZZIWMNBWSB-UHFFFAOYSA-N
XLogP3.95
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole 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 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138497) is 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is RWDIZZIWMNBWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-24-16(8-9-21-24)12-4-3-5-13(10-12)18-22-19(26-23-18)14-6-7-17(25-2)15(20)11-14/h3-11H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 350.35 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).