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

C19H14F6N2O2 — CID 146469113

IUPAC1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H14F6N2O2/c1-10-26-27-17(29-10)9-16(28)12-4-2-3-11(7-12)14-6-5-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16,28H,9H2,1H3
InChIKeyXOHVMEFPLARJEI-UHFFFAOYSA-N
MW416.32 g/mol
LogP5.36
Rot. Bonds4

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

1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (PubChem CID 146469113) has the molecular formula C19H14F6N2O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
PubChem CID146469113
Molecular FormulaC19H14F6N2O2
Molecular Weight416.32 g/mol
Exact Mass416.10
IUPAC Name1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol
SMILESCc1nnc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)o1
InChIInChI=1S/C19H14F6N2O2/c1-10-26-27-17(29-10)9-16(28)12-4-2-3-11(7-12)14-6-5-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16,28H,9H2,1H3
InChIKeyXOHVMEFPLARJEI-UHFFFAOYSA-N
XLogP5.36
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.32
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The IUPAC name of 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol (CID 146469113) is 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol.
What is the SMILES notation for 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The canonical SMILES for 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is Cc1nnc(CC(O)c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)o1.
What is the InChIKey of 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
The InChIKey is XOHVMEFPLARJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N2O2/c1-10-26-27-17(29-10)9-16(28)12-4-2-3-11(7-12)14-6-5-13(18(20,21)22)8-15(14)19(23,24)25/h2-8,16,28H,9H2,1H3.
What are the key properties of 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol?
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol has a molecular weight of 416.32 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanol is sourced from PubChem (CID 146469113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).