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

C14H16FN3O2 — CID 62013763

IUPAC[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-17-16-13(20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2
InChIKeyFJIMNYWQOOJALY-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.83
Rot. Bonds4

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

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 62013763) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID62013763
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-17-16-13(20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2
InChIKeyFJIMNYWQOOJALY-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanamine
CID 115312862
2-(4-fluorophenyl)-5-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609789
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528
3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62468153
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 62016869
1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-amine
CID 43556594
(3R,5S)-5-cyclohexyl-1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-3-ol
CID 99106988
2-(4-fluorophenyl)-5-[(2-methylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 62672288
2-(4-chlorophenyl)-5-[[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95609308
2-(3-fluorophenyl)-5-[[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95721312

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 62013763) is [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1nnc(-c2ccc(F)cc2)o1.
What is the InChIKey of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is FJIMNYWQOOJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-17-16-13(20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2.
What are the key properties of [1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 277.30 g/mol, XLogP of 1.83, 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)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62013763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).