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

C14H16FN3O2 — CID 62370309

IUPAC[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C14H16FN3O2/c15-12-3-1-11(2-4-12)14-16-13(17-20-14)8-18-6-5-10(7-18)9-19/h1-4,10,19H,5-9H2
InChIKeyAOLWGUPILIFCSK-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.69
Rot. Bonds4

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

[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol (PubChem CID 62370309) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
PubChem CID62370309
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
SMILESOCC1CCN(Cc2noc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C14H16FN3O2/c15-12-3-1-11(2-4-12)14-16-13(17-20-14)8-18-6-5-10(7-18)9-19/h1-4,10,19H,5-9H2
InChIKeyAOLWGUPILIFCSK-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-3-yl]methanol
CID 62020620
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
3-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 60917127
(3R)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 78963885
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 62372084
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 62068171
(3R)-1-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-ol
CID 111334093
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-methylpyrrolidin-3-amine
CID 103577002
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716
1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032406

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol (CID 62370309) is [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol is OCC1CCN(Cc2noc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
The InChIKey is AOLWGUPILIFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-12-3-1-11(2-4-12)14-16-13(17-20-14)8-18-6-5-10(7-18)9-19/h1-4,10,19H,5-9H2.
What are the key properties of [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol?
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol has a molecular weight of 277.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).