N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline

C13H15N3O — CID 15914194

IUPACN-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
SMILESC/C(=N\N(C)c1ccccc1)c1cc(C)on1
InChIInChI=1S/C13H15N3O/c1-10-9-13(15-17-10)11(2)14-16(3)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-11+
InChIKeyAHLPNKHVNRACPR-SDNWHVSQSA-N
MW229.28 g/mol
LogP2.84
Rot. Bonds3

About N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline

N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline (PubChem CID 15914194) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
PubChem CID15914194
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC NameN-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline
SMILESC/C(=N\N(C)c1ccccc1)c1cc(C)on1
InChIInChI=1S/C13H15N3O/c1-10-9-13(15-17-10)11(2)14-16(3)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-11+
InChIKeyAHLPNKHVNRACPR-SDNWHVSQSA-N
XLogP2.84
TPSA41.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline 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-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The IUPAC name of N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline (CID 15914194) is N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The canonical SMILES for N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline is C/C(=N\N(C)c1ccccc1)c1cc(C)on1.
What is the InChIKey of N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
The InChIKey is AHLPNKHVNRACPR-SDNWHVSQSA-N. The full InChI is InChI=1S/C13H15N3O/c1-10-9-13(15-17-10)11(2)14-16(3)12-7-5-4-6-8-12/h4-9H,1-3H3/b14-11+.
What are the key properties of N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline?
N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline has a molecular weight of 229.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-1-(5-methyl-1,2-oxazol-3-yl)ethylideneamino]aniline is sourced from PubChem (CID 15914194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).