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

C12H17ClN4O2 — CID 119926914

IUPAC[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C12H16N4O2.ClH/c13-7-9-3-1-5-16(9)8-11-14-12(15-18-11)10-4-2-6-17-10;/h2,4,6,9H,1,3,5,7-8,13H2;1H
InChIKeyOXZARLRVJBFFNR-UHFFFAOYSA-N
MW284.75 g/mol
LogP1.67
Rot. Bonds4

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

[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride (PubChem CID 119926914) 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-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride
PubChem CID119926914
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-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN1Cc1nc(-c2ccco2)no1
InChIInChI=1S/C12H16N4O2.ClH/c13-7-9-3-1-5-16(9)8-11-14-12(15-18-11)10-4-2-6-17-10;/h2,4,6,9H,1,3,5,7-8,13H2;1H
InChIKeyOXZARLRVJBFFNR-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
1-[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490396
[(2R)-1-[[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 95972817
3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462
3-(furan-2-yl)-5-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95305735
[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methylurea
CID 95382626
4-[2-[(2S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]ethyl]morpholine
CID 95718058
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917768
3-(furan-2-yl)-5-[[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95569796
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
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
3-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 134019527

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride (CID 119926914) is [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride is Cl.NCC1CCCN1Cc1nc(-c2ccco2)no1.
What is the InChIKey of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
The InChIKey is OXZARLRVJBFFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2.ClH/c13-7-9-3-1-5-16(9)8-11-14-12(15-18-11)10-4-2-6-17-10;/h2,4,6,9H,1,3,5,7-8,13H2;1H.
What are the key properties of [1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride?
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanamine;hydrochloride has a molecular weight of 284.75 g/mol, XLogP of 1.67, 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-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 119926914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).