(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C13H14FN3O2 — CID 104911149

IUPAC(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(Cc3cccc(F)c3)no2)C1
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-2-8(4-9)5-12-16-13(19-17-12)11-6-10(18)7-15-11/h1-4,10-11,15,18H,5-7H2/t10-,11+/m1/s1
InChIKeyPKEJVUFHODBRRM-MNOVXSKESA-N
MW263.27 g/mol
LogP1.19
Rot. Bonds3

About (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 104911149) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID104911149
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESO[C@H]1CN[C@H](c2nc(Cc3cccc(F)c3)no2)C1
InChIInChI=1S/C13H14FN3O2/c14-9-3-1-2-8(4-9)5-12-16-13(19-17-12)11-6-10(18)7-15-11/h1-4,10-11,15,18H,5-7H2/t10-,11+/m1/s1
InChIKeyPKEJVUFHODBRRM-MNOVXSKESA-N
XLogP1.19
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 104911149) is (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is O[C@H]1CN[C@H](c2nc(Cc3cccc(F)c3)no2)C1.
What is the InChIKey of (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is PKEJVUFHODBRRM-MNOVXSKESA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-9-3-1-2-8(4-9)5-12-16-13(19-17-12)11-6-10(18)7-15-11/h1-4,10-11,15,18H,5-7H2/t10-,11+/m1/s1.
What are the key properties of (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
(3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 263.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104911149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).