5-heptyl-4-methyl-1,2-oxazol-3-amine

C11H20N2O — CID 66198005

IUPAC5-heptyl-4-methyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1C
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-7-8-10-9(2)11(12)13-14-10/h3-8H2,1-2H3,(H2,12,13)
InChIKeyZPSLBHGKWWFWGC-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.08
Rot. Bonds6

About 5-heptyl-4-methyl-1,2-oxazol-3-amine

5-heptyl-4-methyl-1,2-oxazol-3-amine (PubChem CID 66198005) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 5-heptyl-4-methyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-heptyl-4-methyl-1,2-oxazol-3-amine
PubChem CID66198005
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name5-heptyl-4-methyl-1,2-oxazol-3-amine
SMILESCCCCCCCc1onc(N)c1C
InChIInChI=1S/C11H20N2O/c1-3-4-5-6-7-8-10-9(2)11(12)13-14-10/h3-8H2,1-2H3,(H2,12,13)
InChIKeyZPSLBHGKWWFWGC-UHFFFAOYSA-N
XLogP3.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-heptyl-4-methyl-1,2-oxazol-3-amine 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 5-heptyl-4-methyl-1,2-oxazol-3-amine?
The IUPAC name of 5-heptyl-4-methyl-1,2-oxazol-3-amine (CID 66198005) is 5-heptyl-4-methyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-heptyl-4-methyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-heptyl-4-methyl-1,2-oxazol-3-amine is CCCCCCCc1onc(N)c1C.
What is the InChIKey of 5-heptyl-4-methyl-1,2-oxazol-3-amine?
The InChIKey is ZPSLBHGKWWFWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-4-5-6-7-8-10-9(2)11(12)13-14-10/h3-8H2,1-2H3,(H2,12,13).
What are the key properties of 5-heptyl-4-methyl-1,2-oxazol-3-amine?
5-heptyl-4-methyl-1,2-oxazol-3-amine has a molecular weight of 196.29 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptyl-4-methyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).