(4S)-3-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(propan-2-yl)-1,3-oxazolidin-2-one

• ChemBase ID: 419499
• Molecular Formular: C13H21N3O3
• Molecular Mass: 267.32414
• Monoisotopic Mass: 267.15829155
• SMILES: N1(C(=O)OC[C@@H]1C(C)C)Cc1n(cnc1)CCOC
• Canonical SMILES: COCCn1cncc1CN1C(=O)OC[C@@H]1C(C)C
• InChI: InChI=1S/C13H21N3O3/c1-10(2)12-8-19-13(17)16(12)7-11-6-14-9-15(11)4-5-18-3/h6,9-10,12H,4-5,7-8H2,1-3H3/t12-/m1/s1
• InChIKey: GBZCCWJVEGLOEL-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(propan-2-yl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-4-isopropyl-3-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}-1,3-oxazolidin-2-one
• Synonyms: (4S)-4-isopropyl-3-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.40028396
• LogD (pH = 7.4): 0.8403696
• Log P: 0.87160504
• Molar Refractivity: 70.7134 cm^3
• Polarizability: 27.385534 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.19
• LOG S: -2.62
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 6