2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline

C₁₁H₁₂N₂O — CID 155718046

About 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline

2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline (PubChem CID 155718046) has the molecular formula C₁₁H₁₂N₂O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline.

Molecular Properties

• Compound Name: 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
• PubChem CID: 155718046
• Molecular Formula: C₁₁H₁₂N₂O
• Molecular Weight: 188.23 g/mol
• Exact Mass: 188.09
• IUPAC Name: 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline
• SMILES: Cc1ccc(-c2cnoc2C)cc1N
• InChI: InChI=1S/C11H12N2O/c1-7-3-4-9(5-11(7)12)10-6-13-14-8(10)2/h3-6H,12H2,1-2H3
• InChIKey: DMFFJTBCJFCCFT-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 52.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	188.23
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?

The IUPAC name of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline (CID 155718046) is 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline.

What is the SMILES notation for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?

The canonical SMILES for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline is Cc1ccc(-c2cnoc2C)cc1N.

What is the InChIKey of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?

The InChIKey is DMFFJTBCJFCCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7-3-4-9(5-11(7)12)10-6-13-14-8(10)2/h3-6H,12H2,1-2H3.

What are the key properties of 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline?

2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-(5-methyl-1,2-oxazol-4-yl)aniline is sourced from PubChem (CID 155718046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155718046 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.