5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-amine

• ChemBase ID: 121158
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: c1(c(onc1C)/C=C/c1occc1)N
• Canonical SMILES: Cc1noc(c1N)/C=C/c1ccco1
• InChI: InChI=1S/C10H10N2O2/c1-7-10(11)9(14-12-7)5-4-8-3-2-6-13-8/h2-6H,11H2,1H3/b5-4+
• InChIKey: BVAPMGBAMQRYKG-SNAWJCMRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-amine
• IUPAC Traditional name: 5-[(E)-2-(furan-2-yl)ethenyl]-3-methyl-1,2-oxazol-4-amine
• Synonyms: (E)-5-(2-(furan-2-yl)vinyl)-3-methylisoxazol-4-amine

Database IDs

• PubChem SID: 162215511
• PubChem CID: 71308066

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.96032405
• Log P: 0.9603242
• Molar Refractivity: 54.5151 cm^3
• Polarizability: 19.279432 Å^3
• Polar Surface Area: 65.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 19.874395
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.96031106

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds