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

C19H15FN4O — CID 53138525

IUPAC5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F
InChIInChI=1S/C19H15FN4O/c1-12-6-7-15(11-16(12)20)19-22-18(23-25-19)14-5-3-4-13(10-14)17-8-9-21-24(17)2/h3-11H,1-2H3
InChIKeyCBYYEPKFVPPTEU-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.25
Rot. Bonds3

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

5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 53138525) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID53138525
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F
InChIInChI=1S/C19H15FN4O/c1-12-6-7-15(11-16(12)20)19-22-18(23-25-19)14-5-3-4-13(10-14)17-8-9-21-24(17)2/h3-11H,1-2H3
InChIKeyCBYYEPKFVPPTEU-UHFFFAOYSA-N
XLogP4.25
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 53138525) is 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3cccc(-c4ccnn4C)c3)no2)cc1F.
What is the InChIKey of 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is CBYYEPKFVPPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-12-6-7-15(11-16(12)20)19-22-18(23-25-19)14-5-3-4-13(10-14)17-8-9-21-24(17)2/h3-11H,1-2H3.
What are the key properties of 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 334.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methylphenyl)-3-[3-(2-methylpyrazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53138525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).