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

C18H17FN4O2 — CID 74810527

IUPAC[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-21-18(25-22-17)12-7-8-16(20-10-12)23-9-3-4-13(23)11-24/h1-2,5-8,10,13,24H,3-4,9,11H2
InChIKeyFBZUXGUTSLDPGS-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.90
Rot. Bonds4

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

[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (PubChem CID 74810527) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
PubChem CID74810527
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1
InChIInChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-21-18(25-22-17)12-7-8-16(20-10-12)23-9-3-4-13(23)11-24/h1-2,5-8,10,13,24H,3-4,9,11H2
InChIKeyFBZUXGUTSLDPGS-UHFFFAOYSA-N
XLogP2.90
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 25454607
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CID 45249597
[(2R)-1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 42362376
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CID 42516884
[1-(5-fluoro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 61409466
5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530
[1-(5-iodo-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 68796392
[(2S)-1-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methanol
CID 126469583
[(2S)-1-(5-methoxy-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 139294140
(2S)-1-[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 45221148
[(2S)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 79028528

Frequently Asked Questions

What is the IUPAC name of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol (CID 74810527) is [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1ccc(-c2nc(-c3ccccc3F)no2)cn1.
What is the InChIKey of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
The InChIKey is FBZUXGUTSLDPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-15-6-2-1-5-14(15)17-21-18(25-22-17)12-7-8-16(20-10-12)23-9-3-4-13(23)11-24/h1-2,5-8,10,13,24H,3-4,9,11H2.
What are the key properties of [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol?
[1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol has a molecular weight of 340.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 74810527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).