N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

C19H23N5O4 — CID 72924476

About N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (PubChem CID 72924476) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
• PubChem CID: 72924476
• Molecular Formula: C19H23N5O4
• Molecular Weight: 385.42 g/mol
• Exact Mass: 385.18
• IUPAC Name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
• SMILES: CCc1noc(-c2ccccc2NC(=O)N2CCCC3(CN(C)C(=O)O3)C2)n1
• InChI: InChI=1S/C19H23N5O4/c1-3-15-21-16(28-22-15)13-7-4-5-8-14(13)20-17(25)24-10-6-9-19(12-24)11-23(2)18(26)27-19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,25)
• InChIKey: MPBJGZNQEZADMX-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.42
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?

The IUPAC name of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide (CID 72924476) is N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide.

What is the SMILES notation for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?

The canonical SMILES for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is CCc1noc(-c2ccccc2NC(=O)N2CCCC3(CN(C)C(=O)O3)C2)n1.

What is the InChIKey of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?

The InChIKey is MPBJGZNQEZADMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-3-15-21-16(28-22-15)13-7-4-5-8-14(13)20-17(25)24-10-6-9-19(12-24)11-23(2)18(26)27-19/h4-5,7-8H,3,6,9-12H2,1-2H3,(H,20,25).

What are the key properties of N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide?

N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 72924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).