3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C19H30ClN5O3 — CID 120863381

About 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 120863381) has the molecular formula C19H30ClN5O3 and a molecular weight of 411.93 g/mol. Its IUPAC name is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
• PubChem CID: 120863381
• Molecular Formula: C19H30ClN5O3
• Molecular Weight: 411.93 g/mol
• Exact Mass: 411.20
• IUPAC Name: 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
• SMILES: CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(C3(N)CCC3)no1)C2=O.Cl
• InChI: InChI=1S/C19H29N5O3.ClH/c1-17(2,3)12-5-9-19(10-6-12)15(25)24(16(26)22-19)11-13-21-14(23-27-13)18(20)7-4-8-18;/h12H,4-11,20H2,1-3H3,(H,22,26);1H
• InChIKey: ZNMMGRGEKLWOPR-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 114.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.93
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The IUPAC name of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 120863381) is 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

What is the SMILES notation for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The canonical SMILES for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CC(C)(C)C1CCC2(CC1)NC(=O)N(Cc1nc(C3(N)CCC3)no1)C2=O.Cl.

What is the InChIKey of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

The InChIKey is ZNMMGRGEKLWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3.ClH/c1-17(2,3)12-5-9-19(10-6-12)15(25)24(16(26)22-19)11-13-21-14(23-27-13)18(20)7-4-8-18;/h12H,4-11,20H2,1-3H3,(H,22,26);1H.

What are the key properties of 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?

3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 120863381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).