N-(6-methyl-1,2-benzoxazol-3-yl)methanimine

C9H8N2O — CID 163753554

IUPACN-(6-methyl-1,2-benzoxazol-3-yl)methanimine
SMILESC=Nc1noc2cc(C)ccc12
InChIInChI=1S/C9H8N2O/c1-6-3-4-7-8(5-6)12-11-9(7)10-2/h3-5H,2H2,1H3
InChIKeyLSCCZFWICISSIU-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.47
Rot. Bonds1

About N-(6-methyl-1,2-benzoxazol-3-yl)methanimine

N-(6-methyl-1,2-benzoxazol-3-yl)methanimine (PubChem CID 163753554) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-(6-methyl-1,2-benzoxazol-3-yl)methanimine.

Molecular Properties

Compound NameN-(6-methyl-1,2-benzoxazol-3-yl)methanimine
PubChem CID163753554
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-(6-methyl-1,2-benzoxazol-3-yl)methanimine
SMILESC=Nc1noc2cc(C)ccc12
InChIInChI=1S/C9H8N2O/c1-6-3-4-7-8(5-6)12-11-9(7)10-2/h3-5H,2H2,1H3
InChIKeyLSCCZFWICISSIU-UHFFFAOYSA-N
XLogP2.47
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(6-methyl-1,2-benzoxazol-3-yl)methanimine 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-(6-methyl-1,2-benzoxazol-3-yl)methanimine?
The IUPAC name of N-(6-methyl-1,2-benzoxazol-3-yl)methanimine (CID 163753554) is N-(6-methyl-1,2-benzoxazol-3-yl)methanimine.
What is the SMILES notation for N-(6-methyl-1,2-benzoxazol-3-yl)methanimine?
The canonical SMILES for N-(6-methyl-1,2-benzoxazol-3-yl)methanimine is C=Nc1noc2cc(C)ccc12.
What is the InChIKey of N-(6-methyl-1,2-benzoxazol-3-yl)methanimine?
The InChIKey is LSCCZFWICISSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-6-3-4-7-8(5-6)12-11-9(7)10-2/h3-5H,2H2,1H3.
What are the key properties of N-(6-methyl-1,2-benzoxazol-3-yl)methanimine?
N-(6-methyl-1,2-benzoxazol-3-yl)methanimine has a molecular weight of 160.18 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-1,2-benzoxazol-3-yl)methanimine is sourced from PubChem (CID 163753554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).