1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

C18H22N2O5 — CID 3244043

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (PubChem CID 3244043) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

Molecular Properties

• Compound Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
• PubChem CID: 3244043
• Molecular Formula: C18H22N2O5
• Molecular Weight: 346.38 g/mol
• Exact Mass: 346.15
• IUPAC Name: 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone
• SMILES: COc1cccc(C2=NOC(C(=O)N3CCC4(CC3)OCCO4)C2)c1
• InChI: InChI=1S/C18H22N2O5/c1-22-14-4-2-3-13(11-14)15-12-16(25-19-15)17(21)20-7-5-18(6-8-20)23-9-10-24-18/h2-4,11,16H,5-10,12H2,1H3
• InChIKey: WVBLKJAJBNESOW-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 69.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.38
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone (CID 3244043) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone.

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

The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is COc1cccc(C2=NOC(C(=O)N3CCC4(CC3)OCCO4)C2)c1.

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

The InChIKey is WVBLKJAJBNESOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-22-14-4-2-3-13(11-14)15-12-16(25-19-15)17(21)20-7-5-18(6-8-20)23-9-10-24-18/h2-4,11,16H,5-10,12H2,1H3.

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

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 3244043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).