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

C17H13F3N2O2 — CID 146469110

IUPAC2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESOC(Cc1nnco1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-11(5-7-14)12-2-1-3-13(8-12)15(23)9-16-22-21-10-24-16/h1-8,10,15,23H,9H2
InChIKeyVPJNYEBHWWJJCY-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.03
Rot. Bonds4

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

2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 146469110) has the molecular formula C17H13F3N2O2 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID146469110
Molecular FormulaC17H13F3N2O2
Molecular Weight334.30 g/mol
Exact Mass334.09
IUPAC Name2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESOC(Cc1nnco1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-11(5-7-14)12-2-1-3-13(8-12)15(23)9-16-22-21-10-24-16/h1-8,10,15,23H,9H2
InChIKeyVPJNYEBHWWJJCY-UHFFFAOYSA-N
XLogP4.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 146469110) is 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is OC(Cc1nnco1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is VPJNYEBHWWJJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2/c18-17(19,20)14-6-4-11(5-7-14)12-2-1-3-13(8-12)15(23)9-16-22-21-10-24-16/h1-8,10,15,23H,9H2.
What are the key properties of 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 334.30 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 146469110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).