1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

C16H21N3O5 — CID 108978574

About 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 108978574) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
• PubChem CID: 108978574
• Molecular Formula: C16H21N3O5
• Molecular Weight: 335.36 g/mol
• Exact Mass: 335.15
• IUPAC Name: 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
• SMILES: Cc1cc(NC(=O)C2(C(=O)N3CCC4(CC3)OCCO4)CC2)no1
• InChI: InChI=1S/C16H21N3O5/c1-11-10-12(18-24-11)17-13(20)15(2-3-15)14(21)19-6-4-16(5-7-19)22-8-9-23-16/h10H,2-9H2,1H3,(H,17,18,20)
• InChIKey: HVEZCZYBYSAVDX-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.36
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide (CID 108978574) is 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(C(=O)N3CCC4(CC3)OCCO4)CC2)no1.

What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

The InChIKey is HVEZCZYBYSAVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-11-10-12(18-24-11)17-13(20)15(2-3-15)14(21)19-6-4-16(5-7-19)22-8-9-23-16/h10H,2-9H2,1H3,(H,17,18,20).

What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide?

1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108978574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).