1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C19H23N3O5 — CID 110334752

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 110334752) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
• PubChem CID: 110334752
• Molecular Formula: C19H23N3O5
• Molecular Weight: 373.41 g/mol
• Exact Mass: 373.16
• IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
• SMILES: COc1ccccc1-c1nnc(CCC(=O)N2CCC3(CC2)OCCO3)o1
• InChI: InChI=1S/C19H23N3O5/c1-24-15-5-3-2-4-14(15)18-21-20-16(27-18)6-7-17(23)22-10-8-19(9-11-22)25-12-13-26-19/h2-5H,6-13H2,1H3
• InChIKey: ARASKAYSFNABSG-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 86.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.41
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?

The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 110334752) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?

The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is COc1ccccc1-c1nnc(CCC(=O)N2CCC3(CC2)OCCO3)o1.

What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?

The InChIKey is ARASKAYSFNABSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-24-15-5-3-2-4-14(15)18-21-20-16(27-18)6-7-17(23)22-10-8-19(9-11-22)25-12-13-26-19/h2-5H,6-13H2,1H3.

What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 373.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 110334752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).