2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

C17H17N3O3 — CID 9209344

IUPAC2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3/c21-14-10-17(8-4-5-9-17)16(22)20(14)11-13-18-15(19-23-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyAWSAQBHGHLLKEQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.56
Rot. Bonds3

About 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 9209344) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID9209344
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C17H17N3O3/c21-14-10-17(8-4-5-9-17)16(22)20(14)11-13-18-15(19-23-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2
InChIKeyAWSAQBHGHLLKEQ-UHFFFAOYSA-N
XLogP2.56
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 9209344) is 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AWSAQBHGHLLKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-14-10-17(8-4-5-9-17)16(22)20(14)11-13-18-15(19-23-13)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 311.34 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 9209344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).