N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine

C13H24N4O — CID 115078397

IUPACN-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(CC2CCCCN2C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-5-4-6-11(17)8-13-15-12(9-14-3)16-18-13/h10-11,14H,4-9H2,1-3H3
InChIKeyZPXOUHVZOXXLPY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.59
Rot. Bonds5

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

N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 115078397) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID115078397
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(CC2CCCCN2C(C)C)n1
InChIInChI=1S/C13H24N4O/c1-10(2)17-7-5-4-6-11(17)8-13-15-12(9-14-3)16-18-13/h10-11,14H,4-9H2,1-3H3
InChIKeyZPXOUHVZOXXLPY-UHFFFAOYSA-N
XLogP1.59
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine with MolForge

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Related Compounds

1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
3-[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081652
N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879933
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
1-[5-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078416
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289
1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081147
N-methyl-3-[3-[(1-methylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081650
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine (CID 115078397) is N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is CNCc1noc(CC2CCCCN2C(C)C)n1.
What is the InChIKey of N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is ZPXOUHVZOXXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-7-5-4-6-11(17)8-13-15-12(9-14-3)16-18-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine?
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 115078397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).