(2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

C18H19F3N4O2 — CID 171632339

About (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (PubChem CID 171632339) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

Molecular Properties

• Compound Name: (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
• PubChem CID: 171632339
• Molecular Formula: C18H19F3N4O2
• Molecular Weight: 380.37 g/mol
• Exact Mass: 380.15
• IUPAC Name: (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one
• SMILES: O=C([C@@H](Nc1nnc(-c2ccccc2)o1)C(F)(F)F)N1CCC2(CC1)CC2
• InChI: InChI=1S/C18H19F3N4O2/c19-18(20,21)13(15(26)25-10-8-17(6-7-17)9-11-25)22-16-24-23-14(27-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,22,24)/t13-/m1/s1
• InChIKey: ADCKWBHGBINKHB-CYBMUJFWSA-N
• XLogP: 3.48
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.37
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?

The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one (CID 171632339) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one.

What is the SMILES notation for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?

The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is O=C([C@@H](Nc1nnc(-c2ccccc2)o1)C(F)(F)F)N1CCC2(CC1)CC2.

What is the InChIKey of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?

The InChIKey is ADCKWBHGBINKHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13(15(26)25-10-8-17(6-7-17)9-11-25)22-16-24-23-14(27-16)12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,22,24)/t13-/m1/s1.

What are the key properties of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one?

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one has a molecular weight of 380.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-3,3,3-trifluoro-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]propan-1-one is sourced from PubChem (CID 171632339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).