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

C12H22N4O — CID 113319953

IUPAC[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1noc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)8-16-7-10(6-13)5-9(16)2/h9-10H,3-8,13H2,1-2H3
InChIKeyMCAXXMFEUPVGRL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.19
Rot. Bonds5

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

[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 113319953) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID113319953
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCc1noc(CN2CC(CN)CC2C)n1
InChIInChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)8-16-7-10(6-13)5-9(16)2/h9-10H,3-8,13H2,1-2H3
InChIKeyMCAXXMFEUPVGRL-UHFFFAOYSA-N
XLogP1.19
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319990
5-[(2,5-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64980670
[5-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120843071
5-[(2,6-dimethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 63910624
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propyl-1,2,4-oxadiazole
CID 64978637
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carbaldehyde
CID 62654263
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-5-methylpiperidin-3-amine
CID 79993644
[1-[(6-chloro-2-pyridinyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486064

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 113319953) is [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is CCCc1noc(CN2CC(CN)CC2C)n1.
What is the InChIKey of [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is MCAXXMFEUPVGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)8-16-7-10(6-13)5-9(16)2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 238.33 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 113319953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).