N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide

• ChemBase ID: 697306
• Molecular Formular: C16H26N8O3
• Molecular Mass: 378.42944
• Monoisotopic Mass: 378.21278673
• SMILES: n1(c(nnn1)CN1CCOCC1)CC(=O)N(Cc1nc(no1)CC(C)C)C
• Canonical SMILES: CC(Cc1noc(n1)CN(C(=O)Cn1nnnc1CN1CCOCC1)C)C
• InChI: InChI=1S/C16H26N8O3/c1-12(2)8-13-17-15(27-19-13)10-22(3)16(25)11-24-14(18-20-21-24)9-23-4-6-26-7-5-23/h12H,4-11H2,1-3H3
• InChIKey: DLINOERRDUGZPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}-2-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]acetamide
• IUPAC Traditional name: N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}-2-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]acetamide
• Synonyms: N-[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.07241831
• Log P: -0.07222686
• Molar Refractivity: 111.1356 cm^3
• Polarizability: 36.80486 Å^3
• Polar Surface Area: 115.3 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• H Acceptors: 8
• H Donor: 0
• LogD (pH = 5.5): -0.087176695

供应商提供(Chembridge)

• Log P: -0.18
• LOG S: -3.12
• Polar Surface Area: 115.3 Å^2
• Rotatable Bonds: 8
• H Acceptors: 9
• H Donor: 0