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

C16H21N3O — CID 106813128

IUPAC1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2nc(Cc3ccccc3)no2)CCC1
InChIInChI=1S/C16H21N3O/c1-16(8-5-9-16)12-17-11-15-18-14(19-20-15)10-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3
InChIKeyDSSQUPZJOQCEJL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds6

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

1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 106813128) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID106813128
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2nc(Cc3ccccc3)no2)CCC1
InChIInChI=1S/C16H21N3O/c1-16(8-5-9-16)12-17-11-15-18-14(19-20-15)10-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3
InChIKeyDSSQUPZJOQCEJL-UHFFFAOYSA-N
XLogP2.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 106813128) is 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is CC1(CNCc2nc(Cc3ccccc3)no2)CCC1.
What is the InChIKey of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is DSSQUPZJOQCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(8-5-9-16)12-17-11-15-18-14(19-20-15)10-13-6-3-2-4-7-13/h2-4,6-7,17H,5,8-12H2,1H3.
What are the key properties of 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 106813128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).