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

C₂₁H₂₆N₄O₃ — CID 171631821

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (PubChem CID 171631821) has the molecular formula C₂₁H₂₆N₄O₃ and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one.

Molecular Properties

• Compound Name: (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
• PubChem CID: 171631821
• Molecular Formula: C₂₁H₂₆N₄O₃
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one
• SMILES: C[C@@H](Nc1nnc(C2CCc3ccccc3O2)o1)C(=O)N1CCC2(CC1)CC2
• InChI: InChI=1S/C21H26N4O3/c1-14(19(26)25-12-10-21(8-9-21)11-13-25)22-20-24-23-18(28-20)17-7-6-15-4-2-3-5-16(15)27-17/h2-5,14,17H,6-13H2,1H3,(H,22,24)/t14-,17?/m1/s1
• InChIKey: JJYPGHOICZBTBR-XPCCGILXSA-N
• XLogP: 3.34
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one (CID 171631821) is (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-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)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one?

The canonical SMILES for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is C[C@@H](Nc1nnc(C2CCc3ccccc3O2)o1)C(=O)N1CCC2(CC1)CC2.

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

The InChIKey is JJYPGHOICZBTBR-XPCCGILXSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(19(26)25-12-10-21(8-9-21)11-13-25)22-20-24-23-18(28-20)17-7-6-15-4-2-3-5-16(15)27-17/h2-5,14,17H,6-13H2,1H3,(H,22,24)/t14-,17?/m1/s1.

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

(2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one has a molecular weight of 382.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(3,4-dihydro-2H-chromen-2-yl)-1,3,4-oxadiazol-2-yl]amino]propan-1-one is sourced from PubChem (CID 171631821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 171631821 — identifiers, structure, computed properties (public domain)

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