2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole

C13H8FN3O — CID 850839

IUPAC2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1-8H
InChIKeyKNZQZZQWXDSSQE-UHFFFAOYSA-N
MW241.23 g/mol
LogP2.94
Rot. Bonds2

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

2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 850839) has the molecular formula C13H8FN3O and a molecular weight of 241.23 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID850839
Molecular FormulaC13H8FN3O
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(-c3cccnc3)o2)c1
InChIInChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1-8H
InChIKeyKNZQZZQWXDSSQE-UHFFFAOYSA-N
XLogP2.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
7-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11674428
2-(4-Chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 740480
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526
3-[5-(Prop-2-en-1-ylsulfanyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 4920344
2-[(4-Fluorophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 1155333
3-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 3135481
6-Phenyl-1-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-hexan-1-one
CID 11587811

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole (CID 850839) is 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is Fc1cccc(-c2nnc(-c3cccnc3)o2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is KNZQZZQWXDSSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FN3O/c14-11-5-1-3-9(7-11)12-16-17-13(18-12)10-4-2-6-15-8-10/h1-8H.
What are the key properties of 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole?
2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 241.23 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 850839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).