3-[2-({1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl}amino)ethyl]-1,3-oxazolidin-2-one

• ChemBase ID: 613652
• Molecular Formular: C19H25N5O2S
• Molecular Mass: 387.4991
• Monoisotopic Mass: 387.17289607
• SMILES: c1(nnc(s1)C)c1cc(N2CCC(CC2)NCCN2C(=O)OCC2)ccc1
• Canonical SMILES: O=C1OCCN1CCNC1CCN(CC1)c1cccc(c1)c1nnc(s1)C
• InChI: InChI=1S/C19H25N5O2S/c1-14-21-22-18(27-14)15-3-2-4-17(13-15)23-8-5-16(6-9-23)20-7-10-24-11-12-26-19(24)25/h2-4,13,16,20H,5-12H2,1H3
• InChIKey: XHJZSTCFLCGXED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-({1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl}amino)ethyl]-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-[2-({1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidin-4-yl}amino)ethyl]-1,3-oxazolidin-2-one
• Synonyms: 3-[2-({1-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-4-piperidinyl}amino)ethyl]-1,3-oxazolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8505647
• LogD (pH = 7.4): -0.8356519
• Log P: 1.341234
• Molar Refractivity: 117.4614 cm^3
• Polarizability: 40.81842 Å^3
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.73
• LOG S: -2.5
• Polar Surface Area: 70.59 Å^2
• Rotatable Bonds: 6