1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine

C9H15N3O — CID 104879933

IUPAC1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CC2CCC2)n1
InChIInChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)5-7-3-2-4-7/h7,10H,2-6H2,1H3
InChIKeyFKLUYMXAYNXCRU-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.13
Rot. Bonds4

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

1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (PubChem CID 104879933) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
PubChem CID104879933
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
SMILESCNCc1noc(CC2CCC2)n1
InChIInChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)5-7-3-2-4-7/h7,10H,2-6H2,1H3
InChIKeyFKLUYMXAYNXCRU-UHFFFAOYSA-N
XLogP1.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-[(1-methylpiperidin-3-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078585
1-[5-[(1,1-dioxothian-3-yl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078575
1-[5-[(3-ethoxycyclobutyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 103166233
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N-methyl-3-[5-(thian-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078631
N-methyl-1-[5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 115078397
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
N-methyl-3-[5-(thiolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115077404
N-methyl-1-[3-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081022
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
N-methyl-1-[3-[(1-methylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081137
1-[5-(1-adamantylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 79987157

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine (CID 104879933) is 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is CNCc1noc(CC2CCC2)n1.
What is the InChIKey of 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
The InChIKey is FKLUYMXAYNXCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-6-8-11-9(13-12-8)5-7-3-2-4-7/h7,10H,2-6H2,1H3.
What are the key properties of 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine?
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine has a molecular weight of 181.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 104879933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).