(E)-N-[(5-methyl-5H-1,4,2-dioxazol-3-yl)(phenyl)methylidene]hydroxylamine

• ChemBase ID: 182910
• Molecular Formular: C10H10N2O3
• Molecular Mass: 206.198
• Monoisotopic Mass: 206.06914219
• SMILES: C1(=NOC(O1)C)/C(=N/O)/c1ccccc1
• Canonical SMILES: CC1ON=C(O1)/C(=N/O)/c1ccccc1
• InChI: InChI=1S/C10H10N2O3/c1-7-14-10(12-15-7)9(11-13)8-5-3-2-4-6-8/h2-7,13H,1H3/b11-9+
• InChIKey: YSMUOSSHRWSSSL-PKNBQFBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[(5-methyl-5H-1,4,2-dioxazol-3-yl)(phenyl)methylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[(5-methyl-5H-1,4,2-dioxazol-3-yl)(phenyl)methylidene]hydroxylamine

Database IDs

• PubChem SID: 164238820
• PubChem CID: 14448788

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 7.8467026
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1663935
• LogD (pH = 7.4): 2.0362463
• Log P: 2.168344
• Molar Refractivity: 53.1022 cm^3
• Polarizability: 20.513523 Å^3
• Polar Surface Area: 63.41 Å^2

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds