5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

C26H23N3O3 — CID 123402499

IUPAC5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(-n3cc(-c4ccccc4)[nH]c3=O)cc2)C1c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-26(2)23(19-11-7-4-8-12-19)29(25(31)32-26)21-15-13-20(14-16-21)28-17-22(27-24(28)30)18-9-5-3-6-10-18/h3-17,23H,1-2H3,(H,27,30)
InChIKeyWKZVDLQKQNXGBF-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.31
Rot. Bonds4

About 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one

5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 123402499) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID123402499
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2ccc(-n3cc(-c4ccccc4)[nH]c3=O)cc2)C1c1ccccc1
InChIInChI=1S/C26H23N3O3/c1-26(2)23(19-11-7-4-8-12-19)29(25(31)32-26)21-15-13-20(14-16-21)28-17-22(27-24(28)30)18-9-5-3-6-10-18/h3-17,23H,1-2H3,(H,27,30)
InChIKeyWKZVDLQKQNXGBF-UHFFFAOYSA-N
XLogP5.31
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2,3-dihydrobenzimidazol-1-yl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 123487149
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 67036550
(4S)-5,5-dimethyl-3-[4-(2-oxo-5-pyrimidin-2-yl-1H-pyridin-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[4-(2-fluoro-5-pyrimidin-2-yl-3-pyridinyl)phenyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 157249283
4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(1,5-naphthyridin-4-yl)benzamide
CID 71680863
(4S)-5,5-dimethyl-4-phenyl-3-[(Z)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 102477049
(4S)-5,5-dimethyl-4-phenyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 89490003
3-[4-(6-bromo-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)cyclohexyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 78148355
(4R)-3-[1-(benzenesulfonyl)-3-methylbutyl]-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 134881893
(4R,5R)-3-(4-fluorophenyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 101253365
3-hydroxy-5,5-dimethyl-4-phenyloxolan-2-one
CID 18436228
(4S)-5,5-dimethyl-3-[4-(8-oxo-7H-purin-9-yl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 71681649

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one (CID 123402499) is 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2ccc(-n3cc(-c4ccccc4)[nH]c3=O)cc2)C1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WKZVDLQKQNXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-26(2)23(19-11-7-4-8-12-19)29(25(31)32-26)21-15-13-20(14-16-21)28-17-22(27-24(28)30)18-9-5-3-6-10-18/h3-17,23H,1-2H3,(H,27,30).
What are the key properties of 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 425.49 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)phenyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123402499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).