5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole

C8H6FN3O — CID 118391611

IUPAC5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ncccc2F)n1
InChIInChI=1S/C8H6FN3O/c1-5-11-8(13-12-5)7-6(9)3-2-4-10-7/h2-4H,1H3
InChIKeyYXSFVWUSJZUHMY-UHFFFAOYSA-N
MW179.15 g/mol
LogP1.58
Rot. Bonds1

About 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole

5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 118391611) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
PubChem CID118391611
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(-c2ncccc2F)n1
InChIInChI=1S/C8H6FN3O/c1-5-11-8(13-12-5)7-6(9)3-2-4-10-7/h2-4H,1H3
InChIKeyYXSFVWUSJZUHMY-UHFFFAOYSA-N
XLogP1.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 763882
2-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine
CID 700561
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
3-(Pyridin-2-yl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazole
CID 9881610
5Pam523
CID 46946406
2-(5-Phenyl-1,2,4-oxadiazol-3-yl)pyridine
CID 763880
3-Phenyl-5-(2-pyridyl)-1,2,4-oxadiazole
CID 851444
3-(3-Cyano-5-fluorophenyl)-5-(2-Pyridyl)-1,2,4-oxadiazole
CID 21942491
7-Phenyl-1-(5-(pyridin-2-yl)-1,2,4-oxadiazol-3-yl)-heptan-1-one
CID 24951156
2-{3-[4-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}pyridine
CID 1512239
5-(3,4-Difluorophenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 145981292

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole (CID 118391611) is 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(-c2ncccc2F)n1.
What is the InChIKey of 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is YXSFVWUSJZUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c1-5-11-8(13-12-5)7-6(9)3-2-4-10-7/h2-4H,1H3.
What are the key properties of 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole?
5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 179.15 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 118391611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).