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

C12H13FN2O2 — CID 64768194

IUPAC[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)(c1ccc(F)cc1)c1noc(CO)n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,8-3-5-9(13)6-4-8)11-14-10(7-16)17-15-11/h3-6,16H,7H2,1-2H3
InChIKeyFJPHIBMCVSPABA-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.03
Rot. Bonds3

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

[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 64768194) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID64768194
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCC(C)(c1ccc(F)cc1)c1noc(CO)n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,8-3-5-9(13)6-4-8)11-14-10(7-16)17-15-11/h3-6,16H,7H2,1-2H3
InChIKeyFJPHIBMCVSPABA-UHFFFAOYSA-N
XLogP2.03
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol (CID 64768194) is [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol is CC(C)(c1ccc(F)cc1)c1noc(CO)n1.
What is the InChIKey of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is FJPHIBMCVSPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(2,8-3-5-9(13)6-4-8)11-14-10(7-16)17-15-11/h3-6,16H,7H2,1-2H3.
What are the key properties of [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 236.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 64768194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).