3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole

C15H11FN2O — CID 817382

IUPAC3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H11FN2O/c1-10-4-2-3-5-13(10)15-17-14(18-19-15)11-6-8-12(16)9-7-11/h2-9H,1H3
InChIKeyNJLQXZMMAGTBPT-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.85
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 817382) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID817382
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C15H11FN2O/c1-10-4-2-3-5-13(10)15-17-14(18-19-15)11-6-8-12(16)9-7-11/h2-9H,1H3
InChIKeyNJLQXZMMAGTBPT-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
5-(2-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035901
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
3-(1-benzofuran-5-yl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 59556605
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3770450
5-(2-methylphenyl)-3-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173292
3-(4-fluorophenyl)-5-[5-[(2-methylphenoxy)methyl]furan-2-yl]-1,2,4-oxadiazole
CID 19326321
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole (CID 817382) is 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is NJLQXZMMAGTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-4-2-3-5-13(10)15-17-14(18-19-15)11-6-8-12(16)9-7-11/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 254.26 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 817382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).