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

C12H11F3N2O2 — CID 175359378

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(CC(O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H11F3N2O2/c1-7-16-17-11(19-7)6-10(18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6H2,1H3
InChIKeyWZWYBDPHCQVNRI-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.67
Rot. Bonds3

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 175359378) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID175359378
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(CC(O)c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C12H11F3N2O2/c1-7-16-17-11(19-7)6-10(18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6H2,1H3
InChIKeyWZWYBDPHCQVNRI-UHFFFAOYSA-N
XLogP2.67
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175152701
1-[2-fluoro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469152
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
1-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
CID 146469143
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 106371948
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 10689220
[4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-yl]carbamic acid
CID 67523957

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 175359378) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1nnc(CC(O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is WZWYBDPHCQVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-7-16-17-11(19-7)6-10(18)8-2-4-9(5-3-8)12(13,14)15/h2-5,10,18H,6H2,1H3.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 272.23 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 175359378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).