N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 591375
• Molecular Formular: C16H21N5O3
• Molecular Mass: 331.36964
• Monoisotopic Mass: 331.16443956
• SMILES: c1(nc2n(c1)CCNC2)C(=O)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
• Canonical SMILES: Cc1noc(c1)C[C@@H]1COC[C@@H]1NC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C16H21N5O3/c1-10-4-12(24-20-10)5-11-8-23-9-14(11)19-16(22)13-7-21-3-2-17-6-15(21)18-13/h4,7,11,14,17H,2-3,5-6,8-9H2,1H3,(H,19,22)/t11-,14+/m1/s1
• InChIKey: NXVUPIRWHKXSIA-RISCZKNCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{(3R*,4S*)-4-[(3-methyl-5-isoxazolyl)methyl]tetrahydro-3-furanyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.384223
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.8932787
• LogD (pH = 7.4): -0.84350395
• Log P: -0.7824593
• Molar Refractivity: 86.9061 cm^3
• Polarizability: 32.821037 Å^3
• Polar Surface Area: 94.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.2
• LOG S: -1.9
• Polar Surface Area: 94.21 Å^2
• Rotatable Bonds: 4