1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone

C20H25N5O3 — CID 171632404

IUPAC1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESCOc1nc(C2CC2)ccc1-c1nnc(NCC(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C20H25N5O3/c1-27-17-14(4-5-15(22-17)13-2-3-13)18-23-24-19(28-18)21-12-16(26)25-10-8-20(6-7-20)9-11-25/h4-5,13H,2-3,6-12H2,1H3,(H,21,24)
InChIKeyXJULPUFYAKZCJM-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.83
Rot. Bonds6

About 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone

1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone (PubChem CID 171632404) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone.

Molecular Properties

Compound Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
PubChem CID171632404
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone
SMILESCOc1nc(C2CC2)ccc1-c1nnc(NCC(=O)N2CCC3(CC2)CC3)o1
InChIInChI=1S/C20H25N5O3/c1-27-17-14(4-5-15(22-17)13-2-3-13)18-23-24-19(28-18)21-12-16(26)25-10-8-20(6-7-20)9-11-25/h4-5,13H,2-3,6-12H2,1H3,(H,21,24)
InChIKeyXJULPUFYAKZCJM-UHFFFAOYSA-N
XLogP2.83
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The IUPAC name of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone (CID 171632404) is 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone.
What is the SMILES notation for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The canonical SMILES for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone is COc1nc(C2CC2)ccc1-c1nnc(NCC(=O)N2CCC3(CC2)CC3)o1.
What is the InChIKey of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
The InChIKey is XJULPUFYAKZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-27-17-14(4-5-15(22-17)13-2-3-13)18-23-24-19(28-18)21-12-16(26)25-10-8-20(6-7-20)9-11-25/h4-5,13H,2-3,6-12H2,1H3,(H,21,24).
What are the key properties of 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone?
1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone has a molecular weight of 383.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-azaspiro[2.5]octan-6-yl)-2-[[5-(6-cyclopropyl-2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]ethanone is sourced from PubChem (CID 171632404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).