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

C12H17ClN4O2 — CID 119917768

IUPAC[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2nc(-c3ccco3)no2)C1
InChIInChI=1S/C12H16N4O2.ClH/c13-6-9-3-4-16(7-9)8-11-14-12(15-18-11)10-2-1-5-17-10;/h1-2,5,9H,3-4,6-8,13H2;1H
InChIKeyWIFBNPLMUHCDCS-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.53
Rot. Bonds4

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

[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 119917768) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID119917768
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Name[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2nc(-c3ccco3)no2)C1
InChIInChI=1S/C12H16N4O2.ClH/c13-6-9-3-4-16(7-9)8-11-14-12(15-18-11)10-2-1-5-17-10;/h1-2,5,9H,3-4,6-8,13H2;1H
InChIKeyWIFBNPLMUHCDCS-UHFFFAOYSA-N
XLogP1.53
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride with MolForge

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Related Compounds

5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62061668
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926914
3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91842285
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
5-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-3-(furan-2-yl)-1,2,4-oxadiazole
CID 37266637
(3S,4R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-6,6-dimethylazepane-3,4-diol
CID 166294010

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride (CID 119917768) is [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2nc(-c3ccco3)no2)C1.
What is the InChIKey of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is WIFBNPLMUHCDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c13-6-9-3-4-16(7-9)8-11-14-12(15-18-11)10-2-1-5-17-10;/h1-2,5,9H,3-4,6-8,13H2;1H.
What are the key properties of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride?
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119917768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).