[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

C9H16N4O — CID 130693812

IUPAC[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1CCCN1Cc1nc(CN)no1
InChIInChI=1S/C9H16N4O/c1-7-3-2-4-13(7)6-9-11-8(5-10)12-14-9/h7H,2-6,10H2,1H3
InChIKeyKOCSMTWFAASKQX-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds3

About [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 130693812) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID130693812
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCC1CCCN1Cc1nc(CN)no1
InChIInChI=1S/C9H16N4O/c1-7-3-2-4-13(7)6-9-11-8(5-10)12-14-9/h7H,2-6,10H2,1H3
InChIKeyKOCSMTWFAASKQX-UHFFFAOYSA-N
XLogP0.51
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 99857571
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91651007
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815
[3-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751780
[3-[(2-cyclobutylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751601
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
[3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 114218062
[3-[(3-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750400
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
[3-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752368
[3-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752742
5-[(2,6-dimethylazepan-1-yl)methyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 75423129

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 130693812) is [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is CC1CCCN1Cc1nc(CN)no1.
What is the InChIKey of [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is KOCSMTWFAASKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-3-2-4-13(7)6-9-11-8(5-10)12-14-9/h7H,2-6,10H2,1H3.
What are the key properties of [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 196.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 130693812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).