(3R,4S)-4-propyl-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-amine

• ChemBase ID: 332663
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c1(C(=O)N2C[C@@H]([C@H](C2)N)CCC)noc(c1)CCC
• Canonical SMILES: CCC[C@H]1CN(C[C@@H]1N)C(=O)c1noc(c1)CCC
• InChI: InChI=1S/C14H23N3O2/c1-3-5-10-8-17(9-12(10)15)14(18)13-7-11(6-4-2)19-16-13/h7,10,12H,3-6,8-9,15H2,1-2H3/t10-,12-/m0/s1
• InChIKey: FRGPWBLZMWJGLX-JQWIXIFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,4S)-4-propyl-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-amine
• IUPAC Traditional name: (3R,4S)-4-propyl-1-(5-propyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-amine
• Synonyms: (3R*,4S*)-4-propyl-1-[(5-propylisoxazol-3-yl)carbonyl]pyrrolidin-3-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2719629
• LogD (pH = 7.4): -0.2739237
• Log P: 1.7079653
• Molar Refractivity: 74.4093 cm^3
• Polarizability: 28.304432 Å^3
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.6
• LOG S: -1.65
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 5