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

C8H14ClN3O2 — CID 171149986

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCc1noc(C2CNCC2CO)n1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-9-2-6(7)4-12;/h6-7,9,12H,2-4H2,1H3;1H
InChIKeyQCWYKKRTKALTJE-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.10
Rot. Bonds2

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

[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride (PubChem CID 171149986) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
PubChem CID171149986
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride
SMILESCc1noc(C2CNCC2CO)n1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-9-2-6(7)4-12;/h6-7,9,12H,2-4H2,1H3;1H
InChIKeyQCWYKKRTKALTJE-UHFFFAOYSA-N
XLogP0.10
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-(4-phenylpyrrolidin-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 166606249
1-[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 110202971
[(3S,4S)-1-[(3,5-difluorophenyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol
CID 110202980
3-methyl-5-[(3S,5S)-5-methylpiperidin-3-yl]-1,2,4-oxadiazole
CID 58487567
[(3S,4S)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 110202984
5-[(1S,4R,6R)-2-azabicyclo[2.2.2]octan-6-yl]-3-methyl-1,2,4-oxadiazole
CID 14742580
5-[(4S)-azepan-4-yl]-3-methyl-1,2,4-oxadiazole
CID 97179514
[(3S,4S)-3-(hydroxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110203009
(3S,4S)-N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 91923283
5-(2-ethyloxolan-3-yl)-3-methyl-1,2,4-oxadiazole
CID 126992893
5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole;hydrochloride
CID 131223525
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride (CID 171149986) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride is Cc1noc(C2CNCC2CO)n1.Cl.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride?
The InChIKey is QCWYKKRTKALTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-5-10-8(13-11-5)7-3-9-2-6(7)4-12;/h6-7,9,12H,2-4H2,1H3;1H.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 171149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).