N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C17H24N2O4 — CID 131907170

IUPACN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CC(=O)OC23CCCC3)on1
InChIInChI=1S/C17H24N2O4/c1-11(2)7-12-8-13(23-19-12)10-18-16(21)14-9-15(20)22-17(14)5-3-4-6-17/h8,11,14H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyVLUVJUBIKRFKGZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.37
Rot. Bonds5

About N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 131907170) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID131907170
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCC(C)Cc1cc(CNC(=O)C2CC(=O)OC23CCCC3)on1
InChIInChI=1S/C17H24N2O4/c1-11(2)7-12-8-13(23-19-12)10-18-16(21)14-9-15(20)22-17(14)5-3-4-6-17/h8,11,14H,3-7,9-10H2,1-2H3,(H,18,21)
InChIKeyVLUVJUBIKRFKGZ-UHFFFAOYSA-N
XLogP2.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 131907170) is N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is CC(C)Cc1cc(CNC(=O)C2CC(=O)OC23CCCC3)on1.
What is the InChIKey of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is VLUVJUBIKRFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11(2)7-12-8-13(23-19-12)10-18-16(21)14-9-15(20)22-17(14)5-3-4-6-17/h8,11,14H,3-7,9-10H2,1-2H3,(H,18,21).
What are the key properties of N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 131907170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).