2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

C12H20N6O — CID 63013239

IUPAC2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCN(Cc1nc(C(C)(C)N)no1)Cc1nccn1C
InChIInChI=1S/C12H20N6O/c1-12(2,13)11-15-10(19-16-11)8-17(3)7-9-14-5-6-18(9)4/h5-6H,7-8,13H2,1-4H3
InChIKeySNWHYOXQQLJPFA-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.63
Rot. Bonds5

About 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine

2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 63013239) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID63013239
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCN(Cc1nc(C(C)(C)N)no1)Cc1nccn1C
InChIInChI=1S/C12H20N6O/c1-12(2,13)11-15-10(19-16-11)8-17(3)7-9-14-5-6-18(9)4/h5-6H,7-8,13H2,1-4H3
InChIKeySNWHYOXQQLJPFA-UHFFFAOYSA-N
XLogP0.63
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine with MolForge

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Related Compounds

N'-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 55226182
2-[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63276008
2-[5-[[(2-methoxyphenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 119929443
[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144419
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63024829
N'-hydroxy-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanimidamide
CID 76982036
2-methyl-N-[[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 63025857
[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144617
N-[(1-methylimidazol-2-yl)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 118790858
1-(1-tert-butyltriazol-4-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 86807854

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 63013239) is 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is CN(Cc1nc(C(C)(C)N)no1)Cc1nccn1C.
What is the InChIKey of 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is SNWHYOXQQLJPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-12(2,13)11-15-10(19-16-11)8-17(3)7-9-14-5-6-18(9)4/h5-6H,7-8,13H2,1-4H3.
What are the key properties of 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 264.33 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 63013239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).