1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

C13H24N4O — CID 63267588

IUPAC1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCCCc1noc(CN2CCC(CNC)C2)n1
InChIInChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17-7-6-11(9-17)8-14-2/h11,14H,3-10H2,1-2H3
InChIKeyYMEWHDUESKZYSH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.45
Rot. Bonds7

About 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63267588) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63267588
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCCCCc1noc(CN2CCC(CNC)C2)n1
InChIInChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17-7-6-11(9-17)8-14-2/h11,14H,3-10H2,1-2H3
InChIKeyYMEWHDUESKZYSH-UHFFFAOYSA-N
XLogP1.45
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
1-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263934
N-[[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081783
3-(cyclopropylmethyl)-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 45214637
3-butyl-5-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95313170
3-butyl-5-[(3-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 60978301
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
2-[4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanol
CID 47020572

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 63267588) is 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is CCCCc1noc(CN2CCC(CNC)C2)n1.
What is the InChIKey of 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is YMEWHDUESKZYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17-7-6-11(9-17)8-14-2/h11,14H,3-10H2,1-2H3.
What are the key properties of 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 252.36 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63267588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).