[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C10H16N4O — CID 66164181

IUPAC[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCC(C)n1cncc1C1=NOC(CN)C1
InChIInChI=1S/C10H16N4O/c1-7(2)14-6-12-5-10(14)9-3-8(4-11)15-13-9/h5-8H,3-4,11H2,1-2H3
InChIKeyKIMCYEPIKLHQJW-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds3

About [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 66164181) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID66164181
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCC(C)n1cncc1C1=NOC(CN)C1
InChIInChI=1S/C10H16N4O/c1-7(2)14-6-12-5-10(14)9-3-8(4-11)15-13-9/h5-8H,3-4,11H2,1-2H3
InChIKeyKIMCYEPIKLHQJW-UHFFFAOYSA-N
XLogP0.92
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 66164181) is [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is CC(C)n1cncc1C1=NOC(CN)C1.
What is the InChIKey of [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is KIMCYEPIKLHQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(2)14-6-12-5-10(14)9-3-8(4-11)15-13-9/h5-8H,3-4,11H2,1-2H3.
What are the key properties of [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
[3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 208.26 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-propan-2-ylimidazol-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 66164181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).