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

C10H15N5O — CID 11615485

IUPAC4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1cn(CC(C)C)c(-c2nonc2N)n1
InChIInChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
InChIKeyVJPQVJGSYWEPEZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.48
Rot. Bonds3

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

4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11615485) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11615485
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCc1cn(CC(C)C)c(-c2nonc2N)n1
InChIInChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14)
InChIKeyVJPQVJGSYWEPEZ-UHFFFAOYSA-N
XLogP1.48
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
4-(4-propyl-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-amine
CID 62808225
4-methyl-1-(4-methylpentyl)imidazol-2-amine
CID 106572208
4-methyl-1-(2-methyl-3-methylsulfanylpropyl)imidazol-2-amine
CID 106572712
4-[4-(3-chlorophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 174493446
4-[4-(3-bromophenyl)-1-ethylimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 174493410
N-cyclopropyl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554938
4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 69158193
N-(2-ethoxyethyl)-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106554059
1-[2-[di(propan-2-yl)amino]ethyl]-4-methylimidazol-2-amine
CID 106555597
4-[1-(2-methylpropyl)-5-(3-morpholin-4-ylpropoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 59011565
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
CID 82113932

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 11615485) is 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine is Cc1cn(CC(C)C)c(-c2nonc2N)n1.
What is the InChIKey of 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is VJPQVJGSYWEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)4-15-5-7(3)12-10(15)8-9(11)14-16-13-8/h5-6H,4H2,1-3H3,(H2,11,14).
What are the key properties of 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-1-(2-methylpropyl)imidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11615485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).