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

C14H16FN3O2 — CID 79028528

IUPAC[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-16-13(17-20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2/t12-/m0/s1
InChIKeyYYVJFKOLZDQSRW-LBPRGKRZSA-N
MW277.30 g/mol
LogP1.83
Rot. Bonds4

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

[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 79028528) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID79028528
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1Cc1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-16-13(17-20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2/t12-/m0/s1
InChIKeyYYVJFKOLZDQSRW-LBPRGKRZSA-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

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

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Related Compounds

[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 62013763
[1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]methanol
CID 62370309
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976
[1-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-2-yl]methanol
CID 60684747
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-2-yl]ethanol
CID 111111627
[3-[[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751343
[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azepan-2-yl]methanol
CID 116637274
3-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 124757232
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
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
2-[1-[[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111490204
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol (CID 79028528) is [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1Cc1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is YYVJFKOLZDQSRW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FN3O2/c15-11-5-3-10(4-6-11)14-16-13(17-20-14)8-18-7-1-2-12(18)9-19/h3-6,12,19H,1-2,7-9H2/t12-/m0/s1.
What are the key properties of [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-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 [(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).