2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide

• ChemBase ID: 313783
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: C(=O)(N(C1c2c(CCC1)cccc2)C)c1cc2oc(nc2cc1)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)N(C1CCCc2c1cccc2)C
• InChI: InChI=1S/C22H24N2O3/c1-24(19-9-5-7-15-6-3-4-8-17(15)19)22(25)16-10-11-18-20(14-16)27-21(23-18)12-13-26-2/h3-4,6,8,10-11,14,19H,5,7,9,12-13H2,1-2H3
• InChIKey: LNRQOJRUXXXSLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide
• Synonyms: 2-(2-methoxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.517077
• LogD (pH = 7.4): 3.5170798
• Log P: 3.5170798
• Molar Refractivity: 103.9828 cm^3
• Polarizability: 40.790573 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.84
• LOG S: -4.28
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 5