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

C10H15N5O — CID 103511946

IUPAC2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1noc(-c2cncn2C)n1
InChIInChI=1S/C10H15N5O/c1-6(2)8(11)9-13-10(16-14-9)7-4-12-5-15(7)3/h4-6,8H,11H2,1-3H3
InChIKeyFNHLMMZSEPWKJA-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds3

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

2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 103511946) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID103511946
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(C)C(N)c1noc(-c2cncn2C)n1
InChIInChI=1S/C10H15N5O/c1-6(2)8(11)9-13-10(16-14-9)7-4-12-5-15(7)3/h4-6,8H,11H2,1-3H3
InChIKeyFNHLMMZSEPWKJA-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]-2-piperidin-1-ylethanamine
CID 103511982
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82903110
1-[5-(2-ethyl-5-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 66120688
2-methyl-1-[5-(2-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 104879994
1-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325232
(1S)-1-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82669849
N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 103511959
N-ethyl-4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82902395
2-methyl-1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325235
4-methyl-3-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 82903373
1-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 61325023
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(3-methylimidazol-4-yl)methanamine
CID 66117759

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 103511946) is 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(C)C(N)c1noc(-c2cncn2C)n1.
What is the InChIKey of 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is FNHLMMZSEPWKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6(2)8(11)9-13-10(16-14-9)7-4-12-5-15(7)3/h4-6,8H,11H2,1-3H3.
What are the key properties of 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 103511946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).