(4R)-4-({[(3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one

• ChemBase ID: 197563
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: C1(C(=O)O[C@H]2[C@@H]1C=C1[C@@](C2)(CCC[C@@H]1C)C)CN[C@H]1C(=O)NOC1
• Canonical SMILES: O=C1O[C@H]2[C@@H](C1CN[C@@H]1CONC1=O)C=C1[C@](C2)(C)CCC[C@@H]1C
• InChI: InChI=1S/C18H26N2O4/c1-10-4-3-5-18(2)7-15-11(6-13(10)18)12(17(22)24-15)8-19-14-9-23-20-16(14)21/h6,10-12,14-15,19H,3-5,7-9H2,1-2H3,(H,20,21)/t10-,11+,12?,14+,15+,18+/m0/s1
• InChIKey: PMHYYYFAXYIEIL-DQMFKWLWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-({[(3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-2H,3H,3aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one
• IUPAC Traditional name: (4R)-4-({[(3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-3H,3aH,5H,6H,7H,8H,9H,9aH-naphtho[2,3-b]furan-3-yl]methyl}amino)-1,2-oxazolidin-3-one

Database IDs

• PubChem SID: 164253473
• PubChem CID: 16398993

CALCULATED PROPERTIES

• Acid pKa: 3.9334962
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.19434202
• LogD (pH = 7.4): 0.21726254
• Log P: 0.20254785
• Molar Refractivity: 87.6033 cm^3
• Polarizability: 34.951916 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds