N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 705000
• Molecular Formular: C19H19N5O2
• Molecular Mass: 349.38646
• Monoisotopic Mass: 349.15387487
• SMILES: n1c(noc1CCC(=O)NCc1nc2c(cn1)CCC2)c1ccccc1
• Canonical SMILES: O=C(NCc1ncc2c(n1)CCC2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H19N5O2/c25-17(21-12-16-20-11-14-7-4-8-15(14)22-16)9-10-18-23-19(24-26-18)13-5-2-1-3-6-13/h1-3,5-6,11H,4,7-10,12H2,(H,21,25)
• InChIKey: DSSSDUVZUWLUIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.826754
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.7456307
• LogD (pH = 7.4): 2.7456512
• Log P: 2.7456532
• Molar Refractivity: 107.3831 cm^3
• Polarizability: 36.741505 Å^3
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.32
• LOG S: -3.73
• Polar Surface Area: 93.8 Å^2
• Rotatable Bonds: 6