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

C17H12ClF3N2O2 — CID 146469126

IUPAC1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C17H12ClF3N2O2/c18-14-6-3-11(10-1-4-12(5-2-10)17(19,20)21)7-13(14)15(24)8-16-23-22-9-25-16/h1-7,9,15,24H,8H2
InChIKeyXXPOYKSDYFDKGX-UHFFFAOYSA-N
MW368.74 g/mol
LogP4.68
Rot. Bonds4

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

1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469126) has the molecular formula C17H12ClF3N2O2 and a molecular weight of 368.74 g/mol. Its IUPAC name is 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469126
Molecular FormulaC17H12ClF3N2O2
Molecular Weight368.74 g/mol
Exact Mass368.05
IUPAC Name1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol
SMILESOC(Cc1nnco1)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C17H12ClF3N2O2/c18-14-6-3-11(10-1-4-12(5-2-10)17(19,20)21)7-13(14)15(24)8-16-23-22-9-25-16/h1-7,9,15,24H,8H2
InChIKeyXXPOYKSDYFDKGX-UHFFFAOYSA-N
XLogP4.68
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol (CID 146469126) is 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is OC(Cc1nnco1)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is XXPOYKSDYFDKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2/c18-14-6-3-11(10-1-4-12(5-2-10)17(19,20)21)7-13(14)15(24)8-16-23-22-9-25-16/h1-7,9,15,24H,8H2.
What are the key properties of 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol?
1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 368.74 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).