5-methoxy-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]furan-2-carboxamide

• ChemBase ID: 628062
• Molecular Formular: C15H18N2O5
• Molecular Mass: 306.31382
• Monoisotopic Mass: 306.12157169
• SMILES: c1(C(=O)N[C@@H]2[C@H](Cc3onc(c3)C)COC2)oc(cc1)OC
• Canonical SMILES: COc1ccc(o1)C(=O)N[C@H]1COC[C@H]1Cc1onc(c1)C
• InChI: InChI=1S/C15H18N2O5/c1-9-5-11(22-17-9)6-10-7-20-8-12(10)16-15(18)13-3-4-14(19-2)21-13/h3-5,10,12H,6-8H2,1-2H3,(H,16,18)/t10-,12+/m1/s1
• InChIKey: LTAVQDCRLPKZHI-PWSUYJOCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]furan-2-carboxamide
• IUPAC Traditional name: 5-methoxy-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]furan-2-carboxamide
• Synonyms: 5-methoxy-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.086998
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.25835502
• LogD (pH = 7.4): 0.2583602
• Log P: 0.25836036
• Molar Refractivity: 76.928 cm^3
• Polarizability: 29.205366 Å^3
• Polar Surface Area: 86.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.11
• LOG S: -2.84
• Polar Surface Area: 86.73 Å^2
• Rotatable Bonds: 5