N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine

C12H20N2O — CID 115726401

IUPACN-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1ccon1
InChIInChI=1S/C12H20N2O/c1-3-5-7-11(6-4-2)13-10-12-8-9-15-14-12/h3,8-9,11,13H,1,4-7,10H2,2H3
InChIKeyWMSHPAAUXPLRIS-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.90
Rot. Bonds8

About N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine

N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine (PubChem CID 115726401) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
PubChem CID115726401
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine
SMILESC=CCCC(CCC)NCc1ccon1
InChIInChI=1S/C12H20N2O/c1-3-5-7-11(6-4-2)13-10-12-8-9-15-14-12/h3,8-9,11,13H,1,4-7,10H2,2H3
InChIKeyWMSHPAAUXPLRIS-UHFFFAOYSA-N
XLogP2.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-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 N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine (CID 115726401) is N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine is C=CCCC(CCC)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine?
The InChIKey is WMSHPAAUXPLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-5-7-11(6-4-2)13-10-12-8-9-15-14-12/h3,8-9,11,13H,1,4-7,10H2,2H3.
What are the key properties of N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine?
N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine has a molecular weight of 208.31 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)oct-7-en-4-amine is sourced from PubChem (CID 115726401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).