(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol

C16H11F3N2O2 — CID 4825630

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-8-4-7-11(9-12)13(22)15-21-20-14(23-15)10-5-2-1-3-6-10/h1-9,13,22H
InChIKeyPWXVGGIRINRFAX-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.84
Rot. Bonds3

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

(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol (PubChem CID 4825630) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol
PubChem CID4825630
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H11F3N2O2/c17-16(18,19)12-8-4-7-11(9-12)13(22)15-21-20-14(23-15)10-5-2-1-3-6-10/h1-9,13,22H
InChIKeyPWXVGGIRINRFAX-UHFFFAOYSA-N
XLogP3.84
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]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-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol (CID 4825630) is (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol is OC(c1cccc(C(F)(F)F)c1)c1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
The InChIKey is PWXVGGIRINRFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c17-16(18,19)12-8-4-7-11(9-12)13(22)15-21-20-14(23-15)10-5-2-1-3-6-10/h1-9,13,22H.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol?
(5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol has a molecular weight of 320.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)-[3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 4825630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).