N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide

C17H21N3O3 — CID 167747676

About N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide (PubChem CID 167747676) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
• PubChem CID: 167747676
• Molecular Formula: C17H21N3O3
• Molecular Weight: 315.37 g/mol
• Exact Mass: 315.16
• IUPAC Name: N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide
• SMILES: Cn1c(=O)oc2ccc(CNC(=O)C3NCC34CCCC4)cc21
• InChI: InChI=1S/C17H21N3O3/c1-20-12-8-11(4-5-13(12)23-16(20)22)9-18-15(21)14-17(10-19-14)6-2-3-7-17/h4-5,8,14,19H,2-3,6-7,9-10H2,1H3,(H,18,21)
• InChIKey: AWUDXNATWFIZPS-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 76.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.37
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?

The IUPAC name of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide (CID 167747676) is N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide.

What is the SMILES notation for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?

The canonical SMILES for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide is Cn1c(=O)oc2ccc(CNC(=O)C3NCC34CCCC4)cc21.

What is the InChIKey of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?

The InChIKey is AWUDXNATWFIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-12-8-11(4-5-13(12)23-16(20)22)9-18-15(21)14-17(10-19-14)6-2-3-7-17/h4-5,8,14,19H,2-3,6-7,9-10H2,1H3,(H,18,21).

What are the key properties of N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide?

N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-2-azaspiro[3.4]octane-3-carboxamide is sourced from PubChem (CID 167747676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).