1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol

C13H15FN2O2 — CID 64768390

IUPAC1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C13H15FN2O2/c1-8(17)11-15-12(16-18-11)13(2,3)9-4-6-10(14)7-5-9/h4-8,17H,1-3H3
InChIKeyQBNVQIRZLXHHSX-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.59
Rot. Bonds3

About 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol

1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 64768390) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID64768390
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(C(C)(C)c2ccc(F)cc2)no1
InChIInChI=1S/C13H15FN2O2/c1-8(17)11-15-12(16-18-11)13(2,3)9-4-6-10(14)7-5-9/h4-8,17H,1-3H3
InChIKeyQBNVQIRZLXHHSX-UHFFFAOYSA-N
XLogP2.59
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.59
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-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol (CID 64768390) is 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(C(C)(C)c2ccc(F)cc2)no1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QBNVQIRZLXHHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8(17)11-15-12(16-18-11)13(2,3)9-4-6-10(14)7-5-9/h4-8,17H,1-3H3.
What are the key properties of 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 250.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 64768390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).