(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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Related Compounds

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
1-(3-fluorophenyl)-2-[3-(2-methoxy-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 86801623
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
(3S,5S)-1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-(3-fluorophenyl)pyrrolidin-3-ol
CID 100711532
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508
(1R)-2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 95309336
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 97312274
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
1-(3-fluorophenyl)-2-(furan-3-yl)ethanol
CID 83171476
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 51076927

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).