(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol

C13H13FN2O2 — CID 99778217

IUPAC(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
SMILESO[C@@H](Cc1nc(C2CC2)no1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-3-1-2-9(6-10)11(17)7-12-15-13(16-18-12)8-4-5-8/h1-3,6,8,11,17H,4-5,7H2/t11-/m0/s1
InChIKeyNYLCLCOPTTYDOA-NSHDSACASA-N
MW248.26 g/mol
LogP2.36
Rot. Bonds4

About (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol

(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol (PubChem CID 99778217) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
PubChem CID99778217
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol
SMILESO[C@@H](Cc1nc(C2CC2)no1)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O2/c14-10-3-1-2-9(6-10)11(17)7-12-15-13(16-18-12)8-4-5-8/h1-3,6,8,11,17H,4-5,7H2/t11-/m0/s1
InChIKeyNYLCLCOPTTYDOA-NSHDSACASA-N
XLogP2.36
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol?
The IUPAC name of (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol (CID 99778217) is (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol?
The canonical SMILES for (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol is O[C@@H](Cc1nc(C2CC2)no1)c1cccc(F)c1.
What is the InChIKey of (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol?
The InChIKey is NYLCLCOPTTYDOA-NSHDSACASA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-3-1-2-9(6-10)11(17)7-12-15-13(16-18-12)8-4-5-8/h1-3,6,8,11,17H,4-5,7H2/t11-/m0/s1.
What are the key properties of (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol?
(1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol has a molecular weight of 248.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 99778217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).