(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol

C12H11FN2O2 — CID 171048505

IUPAC(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(C2CC2)no1
InChIInChI=1S/C12H11FN2O2/c13-9-5-3-7(4-6-9)10(16)12-14-11(15-17-12)8-1-2-8/h3-6,8,10,16H,1-2H2
InChIKeyVGLDEPDOWSTLOE-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.17
Rot. Bonds3

About (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol

(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol (PubChem CID 171048505) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol
PubChem CID171048505
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)c1nc(C2CC2)no1
InChIInChI=1S/C12H11FN2O2/c13-9-5-3-7(4-6-9)10(16)12-14-11(15-17-12)8-1-2-8/h3-6,8,10,16H,1-2H2
InChIKeyVGLDEPDOWSTLOE-UHFFFAOYSA-N
XLogP2.17
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)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 (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol?
The IUPAC name of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol (CID 171048505) is (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol?
The canonical SMILES for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)c1nc(C2CC2)no1.
What is the InChIKey of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol?
The InChIKey is VGLDEPDOWSTLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-5-3-7(4-6-9)10(16)12-14-11(15-17-12)8-1-2-8/h3-6,8,10,16H,1-2H2.
What are the key properties of (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol?
(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol has a molecular weight of 234.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 171048505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).