[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

C14H16FN3O2 — CID 128986665

IUPAC[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H16FN3O2/c15-11-6-12(9-19)18(7-11)8-13-16-14(17-20-13)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2/t11-,12-/m0/s1
InChIKeyUOOFWYQXVPRKNR-RYUDHWBXSA-N
MW277.30 g/mol
LogP1.64
Rot. Bonds4

About [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 128986665) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID128986665
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C14H16FN3O2/c15-11-6-12(9-19)18(7-11)8-13-16-14(17-20-13)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2/t11-,12-/m0/s1
InChIKeyUOOFWYQXVPRKNR-RYUDHWBXSA-N
XLogP1.64
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol with MolForge

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Related Compounds

[(2R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 62046532
(1S,5R,6R)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-azabicyclo[3.2.0]heptan-6-ol
CID 137340517
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
(2S,4R)-4-fluoro-1-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 120963302
2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]acetic acid
CID 64618321
1-phenyl-2-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]ethanol
CID 111490240
[(2S,4S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoropyrrolidin-2-yl]methanol
CID 128979619
5-[[(2R)-2-methylpiperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 82714094
5-[[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 72864758
2-[1-cyclopentyl-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-yl]ethanol
CID 45242991
[1-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 111103293

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol (CID 128986665) is [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1C[C@H](F)CN1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is UOOFWYQXVPRKNR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-11-6-12(9-19)18(7-11)8-13-16-14(17-20-13)10-4-2-1-3-5-10/h1-5,11-12,19H,6-9H2/t11-,12-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 277.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 128986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).