3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

C14H10FN3O2 — CID 58212400

IUPAC3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cc(-c2nc(-c3cccc(O)c3)no2)cnc1F
InChIInChI=1S/C14H10FN3O2/c1-8-5-10(7-16-12(8)15)14-17-13(18-20-14)9-3-2-4-11(19)6-9/h2-7,19H,1H3
InChIKeyVMEYWZGKLURFDD-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.95
Rot. Bonds2

About 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol

3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 58212400) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID58212400
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESCc1cc(-c2nc(-c3cccc(O)c3)no2)cnc1F
InChIInChI=1S/C14H10FN3O2/c1-8-5-10(7-16-12(8)15)14-17-13(18-20-14)9-3-2-4-11(19)6-9/h2-7,19H,1H3
InChIKeyVMEYWZGKLURFDD-UHFFFAOYSA-N
XLogP2.95
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol (CID 58212400) is 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is Cc1cc(-c2nc(-c3cccc(O)c3)no2)cnc1F.
What is the InChIKey of 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is VMEYWZGKLURFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-8-5-10(7-16-12(8)15)14-17-13(18-20-14)9-3-2-4-11(19)6-9/h2-7,19H,1H3.
What are the key properties of 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol?
3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 271.25 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(6-fluoro-5-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 58212400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).