(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H30N4O4 — CID 95868324

About (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95868324) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 95868324
• Molecular Formula: C18H30N4O4
• Molecular Weight: 366.46 g/mol
• Exact Mass: 366.23
• IUPAC Name: (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: COCCCN1C[C@]2(CCCN(Cc3nc(COC)no3)C2)CCC1=O
• InChI: InChI=1S/C18H30N4O4/c1-24-10-4-9-22-14-18(7-5-17(22)23)6-3-8-21(13-18)11-16-19-15(12-25-2)20-26-16/h3-14H2,1-2H3/t18-/m1/s1
• InChIKey: QDXIYYSCAFORIJ-GOSISDBHSA-N
• XLogP: 1.46
• TPSA: 80.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.46
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95868324) is (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCCN1C[C@]2(CCCN(Cc3nc(COC)no3)C2)CCC1=O.

What is the InChIKey of (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is QDXIYYSCAFORIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-24-10-4-9-22-14-18(7-5-17(22)23)6-3-8-21(13-18)11-16-19-15(12-25-2)20-26-16/h3-14H2,1-2H3/t18-/m1/s1.

What are the key properties of (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.46 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95868324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).