N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide

• ChemBase ID: 565893
• Molecular Formular: C16H24N8O3
• Molecular Mass: 376.41356
• Monoisotopic Mass: 376.19713667
• SMILES: c1(n(nnn1)CCC(=O)NCc1nc(on1)C1CCC1)CN1CCOCC1
• Canonical SMILES: O=C(CCn1nnnc1CN1CCOCC1)NCc1noc(n1)C1CCC1
• InChI: InChI=1S/C16H24N8O3/c25-15(17-10-13-18-16(27-20-13)12-2-1-3-12)4-5-24-14(19-21-22-24)11-23-6-8-26-9-7-23/h12H,1-11H2,(H,17,25)
• InChIKey: UPIBDOSPHLJBGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]propanamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]propanamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-3-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.5996275
• H Acceptors: 8
• H Donor: 1
• LogD (pH = 5.5): -0.41038454
• LogD (pH = 7.4): -0.3594294
• Log P: -0.35873696
• Molar Refractivity: 109.162 cm^3
• Polarizability: 36.09822 Å^3
• Polar Surface Area: 124.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 9
• H Donor: 1
• Log P: -1.27
• LOG S: -2.17
• Polar Surface Area: 124.09 Å^2
• Rotatable Bonds: 8