7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C17H15N3O4 — CID 70775890

IUPAC7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C(=O)N1
InChIInChI=1S/C17H15N3O4/c21-14-7-17(16(23)19-14)5-6-20(9-17)15(22)12-3-1-11(2-4-12)13-8-18-10-24-13/h1-4,8,10H,5-7,9H2,(H,19,21,23)
InChIKeyKTMVGJGVVMDVRJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.22
Rot. Bonds2

About 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70775890) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70775890
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C(=O)N1
InChIInChI=1S/C17H15N3O4/c21-14-7-17(16(23)19-14)5-6-20(9-17)15(22)12-3-1-11(2-4-12)13-8-18-10-24-13/h1-4,8,10H,5-7,9H2,(H,19,21,23)
InChIKeyKTMVGJGVVMDVRJ-UHFFFAOYSA-N
XLogP1.22
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119257328
2-[4-(1,3-oxazol-5-yl)benzoyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72851128
(3S,4S)-4-methyl-1-[4-(1,3-oxazol-5-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952551
[4-(1,3-oxazol-5-yl)phenyl]-spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-ylmethanone
CID 163318328
[4-(1,3-oxazol-5-yl)phenyl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
CID 157012505
4-[4-(1,3-oxazol-5-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 75416558
(5S)-7-[3-[5-(4-methylphenyl)furan-2-yl]propanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96578508
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70719104
(3-amino-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 71932989
[4-[(2R)-1-hydroxybutan-2-yl]piperazin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 97237412
(5R)-7-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 96575416
7-[4-(4-fluorophenyl)-4-oxobutanoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 70738862

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70775890) is 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCN(C(=O)c3ccc(-c4cnco4)cc3)C2)C(=O)N1.
What is the InChIKey of 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is KTMVGJGVVMDVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-14-7-17(16(23)19-14)5-6-20(9-17)15(22)12-3-1-11(2-4-12)13-8-18-10-24-13/h1-4,8,10H,5-7,9H2,(H,19,21,23).
What are the key properties of 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 325.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,3-oxazol-5-yl)benzoyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70775890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).