N-methyl-2-(morpholin-4-yl)-2-(pyridin-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide

• ChemBase ID: 511432
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(noc2c1CCCC2)CN(C(=O)C(N1CCOCC1)c1cnccc1)C
• Canonical SMILES: O=C(C(c1cccnc1)N1CCOCC1)N(Cc1noc2c1CCCC2)C
• InChI: InChI=1S/C20H26N4O3/c1-23(14-17-16-6-2-3-7-18(16)27-22-17)20(25)19(15-5-4-8-21-13-15)24-9-11-26-12-10-24/h4-5,8,13,19H,2-3,6-7,9-12,14H2,1H3
• InChIKey: MOCLZTQKQAGVFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholin-4-yl)-2-(pyridin-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
• IUPAC Traditional name: N-methyl-2-(morpholin-4-yl)-2-(pyridin-3-yl)-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
• Synonyms: N-methyl-2-(4-morpholinyl)-2-(3-pyridinyl)-N-(4,5,6,7-tetrahydro-1,2-benzisoxazol-3-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.107541
• LogD (pH = 7.4): 1.1944351
• Log P: 1.1956571
• Molar Refractivity: 102.0099 cm^3
• Polarizability: 38.933666 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.42
• LOG S: -0.96
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 5