2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

C18H18N2O3 — CID 17441959

IUPAC2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H18N2O3/c21-16-11-18(8-4-5-9-18)17(22)20(16)12-14-10-15(23-19-14)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyXFGMTDHTFMRSAZ-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.16
Rot. Bonds3

About 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 17441959) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID17441959
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H18N2O3/c21-16-11-18(8-4-5-9-18)17(22)20(16)12-14-10-15(23-19-14)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11-12H2
InChIKeyXFGMTDHTFMRSAZ-UHFFFAOYSA-N
XLogP3.16
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 17441959) is 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is XFGMTDHTFMRSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-16-11-18(8-4-5-9-18)17(22)20(16)12-14-10-15(23-19-14)13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11-12H2.
What are the key properties of 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 310.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 17441959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).