1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine

C12H19N5O — CID 50961960

IUPAC1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
SMILESCC(C)Cc1nc(CN(C)Cc2ncc[nH]2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)6-12-15-11(16-18-12)8-17(3)7-10-13-4-5-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyBSTKSNVWGKRXLG-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.62
Rot. Bonds6

About 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine

1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine (PubChem CID 50961960) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
PubChem CID50961960
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine
SMILESCC(C)Cc1nc(CN(C)Cc2ncc[nH]2)no1
InChIInChI=1S/C12H19N5O/c1-9(2)6-12-15-11(16-18-12)8-17(3)7-10-13-4-5-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14)
InChIKeyBSTKSNVWGKRXLG-UHFFFAOYSA-N
XLogP1.62
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The IUPAC name of 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine (CID 50961960) is 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine is CC(C)Cc1nc(CN(C)Cc2ncc[nH]2)no1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
The InChIKey is BSTKSNVWGKRXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-9(2)6-12-15-11(16-18-12)8-17(3)7-10-13-4-5-14-10/h4-5,9H,6-8H2,1-3H3,(H,13,14).
What are the key properties of 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine?
1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine has a molecular weight of 249.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-N-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]methanamine is sourced from PubChem (CID 50961960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).