N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

C17H23N3O4 — CID 131692562

IUPACN-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC1CC1C(=O)N1CC2(CCC(CNC(=O)c3ccno3)CO2)C1
InChIInChI=1S/C17H23N3O4/c1-11-6-13(11)16(22)20-9-17(10-20)4-2-12(8-23-17)7-18-15(21)14-3-5-19-24-14/h3,5,11-13H,2,4,6-10H2,1H3,(H,18,21)
InChIKeyNVNJZLDEAAGMPI-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.07
Rot. Bonds4

About N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 131692562) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID131692562
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC1CC1C(=O)N1CC2(CCC(CNC(=O)c3ccno3)CO2)C1
InChIInChI=1S/C17H23N3O4/c1-11-6-13(11)16(22)20-9-17(10-20)4-2-12(8-23-17)7-18-15(21)14-3-5-19-24-14/h3,5,11-13H,2,4,6-10H2,1H3,(H,18,21)
InChIKeyNVNJZLDEAAGMPI-UHFFFAOYSA-N
XLogP1.07
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide (CID 131692562) is N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is CC1CC1C(=O)N1CC2(CCC(CNC(=O)c3ccno3)CO2)C1.
What is the InChIKey of N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is NVNJZLDEAAGMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-11-6-13(11)16(22)20-9-17(10-20)4-2-12(8-23-17)7-18-15(21)14-3-5-19-24-14/h3,5,11-13H,2,4,6-10H2,1H3,(H,18,21).
What are the key properties of N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylcyclopropanecarbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 131692562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).