2-methylnaphtho[1,2-d][1,3]oxazole

• ChemBase ID: 87219
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: o1c2c(c3ccccc3cc2)nc1C
• Canonical SMILES: Cc1nc2c(o1)ccc1c2cccc1
• InChI: InChI=1S/C12H9NO/c1-8-13-12-10-5-3-2-4-9(10)6-7-11(12)14-8/h2-7H,1H3
• InChIKey: JCTNVNANPZAULC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnaphtho[1,2-d][1,3]oxazole
• IUPAC Traditional name: 2-methylnaphtho[1,2-d][1,3]oxazole
• Synonyms: 2-Methylnaphtho[1,2d]oxazole 98%

Database IDs

• CAS Number: 85-15-4
• MDL Number: MFCD00051328
• PubChem SID: 162074335
• PubChem CID: 66555

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4324014
• LogD (pH = 7.4): 2.432407
• Log P: 2.432407
• Molar Refractivity: 53.614 cm^3
• Polarizability: 23.224846 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true