5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole

C21H16FN3O — CID 70928050

IUPAC5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2noc(-c3ccc(-c4ccccc4)c(CF)c3)n2)c1
InChIInChI=1S/C21H16FN3O/c1-14-9-18(13-23-12-14)20-24-21(26-25-20)16-7-8-19(17(10-16)11-22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyZBLSFRNSXZJTQU-UHFFFAOYSA-N
MW345.38 g/mol
LogP5.24
Rot. Bonds4

About 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole

5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 70928050) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID70928050
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2noc(-c3ccc(-c4ccccc4)c(CF)c3)n2)c1
InChIInChI=1S/C21H16FN3O/c1-14-9-18(13-23-12-14)20-24-21(26-25-20)16-7-8-19(17(10-16)11-22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3
InChIKeyZBLSFRNSXZJTQU-UHFFFAOYSA-N
XLogP5.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.38
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-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

Related Compounds

NS9283
CID 11998180
2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
3-(4-(5-(5-(1,1-Difluoro-2-methylpropyl)pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-3-methylphenyl)propanoic acid
CID 11611053
4-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763855
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
5-Naphthalen-1-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 757874
3-(Pyridin-2-yl)-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 3156022
3-(2-Pyridyl)-5-(3-fluorophenyl)-1,2,4-oxadiazole
CID 6463470
2-(5-Biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 838877
4-[5-(4-Tert-butylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 867088
5-Naphthalen-2-yl-3-pyridin-2-yl-1,2,4-oxadiazole
CID 926663
5-[2-(1-Phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 56949269

Frequently Asked Questions

What is the IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole (CID 70928050) is 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole is Cc1cncc(-c2noc(-c3ccc(-c4ccccc4)c(CF)c3)n2)c1.
What is the InChIKey of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ZBLSFRNSXZJTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-14-9-18(13-23-12-14)20-24-21(26-25-20)16-7-8-19(17(10-16)11-22)15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3.
What are the key properties of 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole?
5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 345.38 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(fluoromethyl)-4-phenylphenyl]-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 70928050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).