5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one

C34H36N6O5 — CID 159699309

IUPAC5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C)C(=O)N1.CC(C)C1NC(=O)OC1(c1ccccc1)c1ccccc1.O=C1NC(=O)c2ccccc21.c1c[nH]cn1
InChIInChI=1S/C18H19NO2.C8H5NO2.C5H8N2O.C3H4N2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;10-7-5-3-1-2-4-6(5)8(11)9-7;1-4-3-7(2)5(8)6-4;1-2-5-3-4-1/h3-13,16H,1-2H3,(H,19,20);1-4H,(H,9,10,11);1,3H2,2H3,(H,6,8);1-3H,(H,4,5)
InChIKeyMXKOACVKWBZESK-UHFFFAOYSA-N
MW608.70 g/mol
LogP4.83
Rot. Bonds3

About 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one

5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one (PubChem CID 159699309) has the molecular formula C34H36N6O5 and a molecular weight of 608.70 g/mol. Its IUPAC name is 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one
PubChem CID159699309
Molecular FormulaC34H36N6O5
Molecular Weight608.70 g/mol
Exact Mass608.27
IUPAC Name5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one
SMILESC=C1CN(C)C(=O)N1.CC(C)C1NC(=O)OC1(c1ccccc1)c1ccccc1.O=C1NC(=O)c2ccccc21.c1c[nH]cn1
InChIInChI=1S/C18H19NO2.C8H5NO2.C5H8N2O.C3H4N2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;10-7-5-3-1-2-4-6(5)8(11)9-7;1-4-3-7(2)5(8)6-4;1-2-5-3-4-1/h3-13,16H,1-2H3,(H,19,20);1-4H,(H,9,10,11);1,3H2,2H3,(H,6,8);1-3H,(H,4,5)
InChIKeyMXKOACVKWBZESK-UHFFFAOYSA-N
XLogP4.83
TPSA145.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.70
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(phenylmethoxymethylamino)propan-2-yl]-methylamino]-4-methyl-1-oxopentan-2-yl]amino]butanoate
CID 70045457
aminomethanol;2-benzofuran-1,3-dione;2-ethylisoindole-1,3-dione;2-(hydroxymethyl)isoindole-1,3-dione;1H-imidazole
CID 159949455
benzyl N-[(4S)-4-(1,3-dioxoisoindol-2-yl)-4-(5-phenyl-1H-imidazol-2-yl)butyl]carbamate
CID 170527198
benzyl N-[4-(1,3-dioxoisoindol-2-yl)-4-(5-phenyl-1H-imidazol-2-yl)butyl]carbamate
CID 175431603

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one?
The IUPAC name of 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one (CID 159699309) is 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one.
What is the SMILES notation for 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one?
The canonical SMILES for 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one is C=C1CN(C)C(=O)N1.CC(C)C1NC(=O)OC1(c1ccccc1)c1ccccc1.O=C1NC(=O)c2ccccc21.c1c[nH]cn1.
What is the InChIKey of 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one?
The InChIKey is MXKOACVKWBZESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2.C8H5NO2.C5H8N2O.C3H4N2/c1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;10-7-5-3-1-2-4-6(5)8(11)9-7;1-4-3-7(2)5(8)6-4;1-2-5-3-4-1/h3-13,16H,1-2H3,(H,19,20);1-4H,(H,9,10,11);1,3H2,2H3,(H,6,8);1-3H,(H,4,5).
What are the key properties of 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one?
5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one has a molecular weight of 608.70 g/mol, XLogP of 4.83, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;1H-imidazole;isoindole-1,3-dione;1-methyl-4-methylideneimidazolidin-2-one is sourced from PubChem (CID 159699309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).