2-cyclopropyl-1,3-benzoxazol-6-amine

• ChemBase ID: 235719
• Molecular Formular: C10H10N2O
• Molecular Mass: 174.1992
• Monoisotopic Mass: 174.07931295
• SMILES: c1(nc2c(o1)cc(N)cc2)C1CC1
• Canonical SMILES: Nc1ccc2c(c1)oc(n2)C1CC1
• InChI: InChI=1S/C10H10N2O/c11-7-3-4-8-9(5-7)13-10(12-8)6-1-2-6/h3-6H,1-2,11H2
• InChIKey: ZXHKSGMKRLUKHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-1,3-benzoxazol-6-amine
• IUPAC Traditional name: 2-cyclopropyl-1,3-benzoxazol-6-amine
• Synonyms: 2-cyclopropyl-1,3-benzoxazol-6-amine

Database IDs

• MDL Number: MFCD11188334
• PubChem SID: 164291629
• PubChem CID: 28932049

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3932892
• LogD (pH = 7.4): 1.393794
• Log P: 1.3938004
• Molar Refractivity: 49.2634 cm^3
• Polarizability: 19.67613 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): 1.576

Product Information

• Purity: 95%