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

C12H11F3N2O2 — CID 175152701

IUPAC(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(C[C@H](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/t10-/m0/s1
InChIKeyWZWYBDPHCQVNRI-JTQLQIEISA-N
MW272.23 g/mol
LogP2.67
Rot. Bonds3

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

(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 175152701) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID175152701
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCc1nnc(C[C@H](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/t10-/m0/s1
InChIKeyWZWYBDPHCQVNRI-JTQLQIEISA-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

2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175359378
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 (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 175152701) is (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is Cc1nnc(C[C@H](O)c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is WZWYBDPHCQVNRI-JTQLQIEISA-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/t10-/m0/s1.
What are the key properties of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol?
(1S)-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 (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 175152701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).