N-(oxolan-2-ylmethyl)-N-propyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 831413
• Molecular Formular: C23H30N2O4
• Molecular Mass: 398.4953
• Monoisotopic Mass: 398.22055745
• SMILES: c1(noc(c1)COc1cc2c(cc1)CCCC2)C(=O)N(CC1OCCC1)CCC
• Canonical SMILES: CCCN(C(=O)c1noc(c1)COc1ccc2c(c1)CCCC2)CC1CCCO1
• InChI: InChI=1S/C23H30N2O4/c1-2-11-25(15-20-8-5-12-27-20)23(26)22-14-21(29-24-22)16-28-19-10-9-17-6-3-4-7-18(17)13-19/h9-10,13-14,20H,2-8,11-12,15-16H2,1H3
• InChIKey: MQWVBKJTXZYEIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-propyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-propyl-5-[(5,6,7,8-tetrahydronaphthalen-2-yloxy)methyl]-1,2-oxazole-3-carboxamide
• Synonyms: N-propyl-N-(tetrahydro-2-furanylmethyl)-5-[(5,6,7,8-tetrahydro-2-naphthalenyloxy)methyl]-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2586107
• LogD (pH = 7.4): 4.2586107
• Log P: 4.2586107
• Molar Refractivity: 111.9626 cm^3
• Polarizability: 42.454956 Å^3
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.29
• LOG S: -5.37
• Polar Surface Area: 64.8 Å^2
• Rotatable Bonds: 6