3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C19H16N2O3 — CID 4859703

IUPAC3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(C2=NOC3(CC(=O)N(c4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-7-9-14(10-8-13)16-11-19(24-20-16)12-17(22)21(18(19)23)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyOQWREPVVXAARSJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4859703) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4859703
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1ccc(C2=NOC3(CC(=O)N(c4ccccc4)C3=O)C2)cc1
InChIInChI=1S/C19H16N2O3/c1-13-7-9-14(10-8-13)16-11-19(24-20-16)12-17(22)21(18(19)23)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
InChIKeyOQWREPVVXAARSJ-UHFFFAOYSA-N
XLogP2.82
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Chlorophenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4891823
3,7-Bis(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
CID 4892798
4,7-Bis(4-fluorophenyl)-2-oxa-3,7-diazaspiro[4.4]non-3-ene-6,8-dione
CID 664631
(3aR,6aS)-3-(4-fluorophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
CID 665198
N~5~-(2-fluorophenyl)-5-methyl-3-phenyl-4,5-dihydro-5-isoxazolecarboxamide
CID 53017004
3-(4-methylphenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
CID 17603235
5-Methyl-N-(2-methylphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 53017003
3-(4-Chlorophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 15518963
3-(2-chlorophenyl)-5-phenyl-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
CID 17596008
3-(4-Nitrophenyl)-5-phenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3768656
3,5-Diphenyl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 13332383
(3aS,6aR)-5-[4-[[4-[(3aR,6aS)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]phenyl]methyl]phenyl]-3-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 368893

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4859703) is 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1ccc(C2=NOC3(CC(=O)N(c4ccccc4)C3=O)C2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is OQWREPVVXAARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-7-9-14(10-8-13)16-11-19(24-20-16)12-17(22)21(18(19)23)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3.
What are the key properties of 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 320.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-7-phenyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4859703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).