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

• ChemBase ID: 110714
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: Cc1nc2c(o1)c1c(cccc1)cc2
• Canonical SMILES: Cc1oc2c(n1)ccc1c2cccc1
• InChI: InChI=1S/C12H9NO/c1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8/h2-7H,1H3
• InChIKey: JKYSRHYQAVELLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylnaphtho[2,1-d][1,3]oxazole
• IUPAC Traditional name: 2-methylnaphtho[2,1-d][1,3]oxazole
• Synonyms: 2-METHYL-1-NAPHTHOXAZOLE

Database IDs

• CAS Number: 20686-65-1
• PubChem SID: 162089263
• PubChem CID: 88652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4323974
• LogD (pH = 7.4): 2.4324067
• Log P: 2.432407
• Molar Refractivity: 53.614 cm^3
• Polarizability: 23.22547 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05216020

MP Biomedicals Rare Chemical collection