1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C11H14N6O — CID 82384452

IUPAC1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cn3cc(C)[nH]c3n2)no1
InChIInChI=1S/C11H14N6O/c1-3-7(12)10-15-9(16-18-10)8-5-17-4-6(2)13-11(17)14-8/h4-5,7H,3,12H2,1-2H3,(H,13,14)
InChIKeyKCKVEVRVQWIMIC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.43
Rot. Bonds3

About 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine

1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 82384452) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID82384452
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCCC(N)c1nc(-c2cn3cc(C)[nH]c3n2)no1
InChIInChI=1S/C11H14N6O/c1-3-7(12)10-15-9(16-18-10)8-5-17-4-6(2)13-11(17)14-8/h4-5,7H,3,12H2,1-2H3,(H,13,14)
InChIKeyKCKVEVRVQWIMIC-UHFFFAOYSA-N
XLogP1.43
TPSA98.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 82384452) is 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CCC(N)c1nc(-c2cn3cc(C)[nH]c3n2)no1.
What is the InChIKey of 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is KCKVEVRVQWIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-7(12)10-15-9(16-18-10)8-5-17-4-6(2)13-11(17)14-8/h4-5,7H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 246.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methyl-1H-imidazo[1,2-a]imidazol-6-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 82384452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).