[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol

C18H18FN3O2 — CID 68522027

IUPAC[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-11(2)7-12-3-4-13(8-16(12)19)18-21-17(22-24-18)14-5-6-15(10-23)20-9-14/h3-6,8-9,11,23H,7,10H2,1-2H3
InChIKeyNCWRPFTURBDWIS-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.63
Rot. Bonds5

About [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol

[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol (PubChem CID 68522027) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
PubChem CID68522027
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol
SMILESCC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-11(2)7-12-3-4-13(8-16(12)19)18-21-17(22-24-18)14-5-6-15(10-23)20-9-14/h3-6,8-9,11,23H,7,10H2,1-2H3
InChIKeyNCWRPFTURBDWIS-UHFFFAOYSA-N
XLogP3.63
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol 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 [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The IUPAC name of [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol (CID 68522027) is [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The canonical SMILES for [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol is CC(C)Cc1ccc(-c2nc(-c3ccc(CO)nc3)no2)cc1F.
What is the InChIKey of [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
The InChIKey is NCWRPFTURBDWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(2)7-12-3-4-13(8-16(12)19)18-21-17(22-24-18)14-5-6-15(10-23)20-9-14/h3-6,8-9,11,23H,7,10H2,1-2H3.
What are the key properties of [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol?
[5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol has a molecular weight of 327.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-[3-fluoro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methanol is sourced from PubChem (CID 68522027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).