N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}propanamide

• ChemBase ID: 350102
• Molecular Formular: C17H27N7O3
• Molecular Mass: 377.44138
• Monoisotopic Mass: 377.21753776
• SMILES: c1(n(nnn1)CCC(=O)N(Cc1cc(no1)C(C)C)C)CN1CCOCC1
• Canonical SMILES: O=C(N(Cc1onc(c1)C(C)C)C)CCn1nnnc1CN1CCOCC1
• InChI: InChI=1S/C17H27N7O3/c1-13(2)15-10-14(27-19-15)11-22(3)17(25)4-5-24-16(18-20-21-24)12-23-6-8-26-9-7-23/h10,13H,4-9,11-12H2,1-3H3
• InChIKey: HPVPQACHZBHJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-1,2,3,4-tetrazol-1-yl]-N-{[3-(propan-2-yl)-1,2-oxazol-5-yl]methyl}propanamide
• IUPAC Traditional name: N-[(3-isopropyl-1,2-oxazol-5-yl)methyl]-N-methyl-3-[5-(morpholin-4-ylmethyl)-1,2,3,4-tetrazol-1-yl]propanamide
• Synonyms: N-[(3-isopropylisoxazol-5-yl)methyl]-N-methyl-3-[5-(morpholin-4-ylmethyl)-1H-tetrazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): -0.16355324
• LogD (pH = 7.4): -0.11259792
• Log P: -0.11190803
• Molar Refractivity: 112.6034 cm^3
• Polarizability: 37.628357 Å^3
• Polar Surface Area: 102.41 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 8
• H Donor: 0
• Log P: -0.61
• LOG S: -2.74
• Polar Surface Area: 102.41 Å^2
• Rotatable Bonds: 8