3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

C11H8ClF3N2O2 — CID 63346050

IUPAC3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nc(-c2ccccc2Cl)no1)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-7-4-2-1-3-6(7)10-16-9(19-17-10)5-8(18)11(13,14)15/h1-4,8,18H,5H2
InChIKeyLJQHGUBEIZOIPX-UHFFFAOYSA-N
MW292.64 g/mol
LogP2.86
Rot. Bonds3

About 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 63346050) has the molecular formula C11H8ClF3N2O2 and a molecular weight of 292.64 g/mol. Its IUPAC name is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID63346050
Molecular FormulaC11H8ClF3N2O2
Molecular Weight292.64 g/mol
Exact Mass292.02
IUPAC Name3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
SMILESOC(Cc1nc(-c2ccccc2Cl)no1)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2O2/c12-7-4-2-1-3-6(7)10-16-9(19-17-10)5-8(18)11(13,14)15/h1-4,8,18H,5H2
InChIKeyLJQHGUBEIZOIPX-UHFFFAOYSA-N
XLogP2.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349341
1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345603
3-[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 66152775
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073046
1,1,1-trifluoro-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 55200862
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
3-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 107915774
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
3-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol
CID 63349614

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol (CID 63346050) is 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is OC(Cc1nc(-c2ccccc2Cl)no1)C(F)(F)F.
What is the InChIKey of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is LJQHGUBEIZOIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2O2/c12-7-4-2-1-3-6(7)10-16-9(19-17-10)5-8(18)11(13,14)15/h1-4,8,18H,5H2.
What are the key properties of 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol?
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 292.64 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63346050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).