(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one

C58H56N4O8 — CID 157492405

IUPAC(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C21H17NO2.C18H19NO2.C10H11NO2.C9H9NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-15,19H,(H,22,23);3-13,16H,1-2H3,(H,19,20);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11)/t19-;16-;7-,9-;8-/m0001/s1
InChIKeyBXKYPXOJPFNVNB-VBKGSLQLSA-N
MW937.11 g/mol
LogP11.43
Rot. Bonds8

About (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one

(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one (PubChem CID 157492405) has the molecular formula C58H56N4O8 and a molecular weight of 937.11 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
PubChem CID157492405
Molecular FormulaC58H56N4O8
Molecular Weight937.11 g/mol
Exact Mass936.41
IUPAC Name(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C21H17NO2.C18H19NO2.C10H11NO2.C9H9NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-15,19H,(H,22,23);3-13,16H,1-2H3,(H,19,20);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11)/t19-;16-;7-,9-;8-/m0001/s1
InChIKeyBXKYPXOJPFNVNB-VBKGSLQLSA-N
XLogP11.43
TPSA153.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.11
LogP ≤ 511.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-5-(3,5-dimethylphenyl)-4-methyl-3-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl]-1,3-oxazolidin-2-one;(4S,5R)-5-(4-fluorophenyl)-4-methyl-3-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl]-1,3-oxazolidin-2-one;3-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl]-5-(4-methylphenyl)-1,3-oxazolidin-2-one;3-[[5-methyl-2-(2-methyl-5-propan-2-ylphenyl)phenyl]methyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 160234307
Benzyl 3-(((4S,5R)-2-oxo-4,5-diphenyloxazolidin-3-yl)methyl)pentanoate
CID 168307008
3-Acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one
CID 23168258
(4S,5R)-4,5-diphenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 69349511
(4S)-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 157131031
4-O-[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2R)-2-phenyl-2-(propan-2-yloxycarbonylamino)ethyl] (E)-but-2-enedioate
CID 157997712
4-O-[(2S)-2-(ethoxycarbonylamino)-2-phenylethyl] 1-O-methyl (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)ethyl] (E)-but-2-enedioate;1-O-methyl 4-O-[(2S)-2-phenyl-2-(propan-2-yloxycarbonylamino)ethyl] (E)-but-2-enedioate
CID 157997713
(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;methane;(2S)-3-methyl-1,1-diphenylbutan-2-amine
CID 158325730
bis((2S,4S)-4-benzyl-5,5-diethyl-2-methyl-1,3-oxazolidine);bis((2S,4S)-4-benzyl-2-methyl-5,5-dipropyl-1,3-oxazolidine);(2S,4S)-5,5-dibutyl-2-methyl-4-(2-methylpropyl)-3-propyl-1,3-oxazolidine;bis((2S,4S)-3-ethyl-2-methyl-4-(2-methylpropyl)-5,5-diphenyl-1,3-oxazolidine)
CID 158374624
[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)
CID 158446917
(2S,4S)-4-benzyl-2-butyl-5,5-dipropyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-(3-methylphenyl)-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-(4-methylphenyl)-1,3-oxazolidine;(2S,4S)-4-benzyl-2-pentyl-5,5-dipropyl-1,3-oxazolidine;(2S,4S)-4-butan-2-yl-5,5-diethyl-2-(3-methylphenyl)-1,3-oxazolidine;(2S,4S)-4-butan-2-yl-5,5-diethyl-2-(4-methylphenyl)-1,3-oxazolidine
CID 158540619
(4S)-4-benzyl-5,5-diethyl-2-methyl-1,3-oxazolidine;bis((4S)-4-benzyl-2-methyl-5,5-dipropyl-1,3-oxazolidine);bis((2R,4S)-5,5-dibutyl-2-methyl-4-(2-methylpropyl)-3-propyl-1,3-oxazolidine);bis((2R,4S)-3-ethyl-2-methyl-4-(2-methylpropyl)-5,5-diphenyl-1,3-oxazolidine);bis((2R,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine)
CID 159066148

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one (CID 157492405) is (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one is CC(C)[C@@H]1NC(=O)OC1(c1ccccc1)c1ccccc1.C[C@@H]1NC(=O)O[C@@H]1c1ccccc1.O=C1N[C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)O1.O=C1N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
The InChIKey is BXKYPXOJPFNVNB-VBKGSLQLSA-N. The full InChI is InChI=1S/C21H17NO2.C18H19NO2.C10H11NO2.C9H9NO2/c23-20-22-19(16-10-4-1-5-11-16)21(24-20,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(2)16-18(21-17(20)19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-15,19H,(H,22,23);3-13,16H,1-2H3,(H,19,20);2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11)/t19-;16-;7-,9-;8-/m0001/s1.
What are the key properties of (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one?
(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one has a molecular weight of 937.11 g/mol, XLogP of 11.43, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 157492405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).