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

C18H15F3N2O2 — CID 146469136

IUPAC(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESCc1nnc(C[C@H](O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C18H15F3N2O2/c1-11-22-23-17(25-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3/t16-/m0/s1
InChIKeyXDIMTQVLBINEQV-INIZCTEOSA-N
MW348.32 g/mol
LogP4.34
Rot. Bonds4

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

(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (PubChem CID 146469136) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
PubChem CID146469136
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC Name(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol
SMILESCc1nnc(C[C@H](O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1
InChIInChI=1S/C18H15F3N2O2/c1-11-22-23-17(25-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3/t16-/m0/s1
InChIKeyXDIMTQVLBINEQV-INIZCTEOSA-N
XLogP4.34
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The IUPAC name of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol (CID 146469136) is (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol.
What is the SMILES notation for (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The canonical SMILES for (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is Cc1nnc(C[C@H](O)c2cccc(-c3ccc(C(F)(F)F)cc3)c2)o1.
What is the InChIKey of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
The InChIKey is XDIMTQVLBINEQV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-22-23-17(25-11)10-16(24)14-4-2-3-13(9-14)12-5-7-15(8-6-12)18(19,20)21/h2-9,16,24H,10H2,1H3/t16-/m0/s1.
What are the key properties of (1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol?
(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol has a molecular weight of 348.32 g/mol, XLogP of 4.34, 4 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-[3-[4-(trifluoromethyl)phenyl]phenyl]ethanol is sourced from PubChem (CID 146469136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).