(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C172H237N9O30 — CID 159014196

IUPAC(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1c1ccccc1.CC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)[C@@H]1N(C(=O)C(Cc2ccccc2)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@@H]1N(C(=O)[C@@H](C)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C.C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C
InChIInChI=1S/2C23H27NO3.C22H25NO3.C21H31NO3.C19H27NO3.2C17H23NO4.C15H27NO4.C15H27NO3/c1-16-20(18-13-9-6-10-14-18)27-22(26)24(16)21(25)19(23(2,3)4)15-17-11-7-5-8-12-17;1-23(2,3)20(15-18-12-8-5-9-13-18)21(25)24-19(16-27-22(24)26)14-17-10-6-4-7-11-17;1-22(2,3)18(14-16-10-6-4-7-11-16)20(24)23-19(15-26-21(23)25)17-12-8-5-9-13-17;1-14(2)17-21(6,7)25-19(24)22(17)18(23)16(20(3,4)5)13-15-11-9-8-10-12-15;1-13(2)16-12-23-18(22)20(16)17(21)15(19(3,4)5)11-14-9-7-6-8-10-14;1-11-13(12-9-7-6-8-10-12)22-16(20)18(11)15(19)14(21-5)17(2,3)4;1-17(2,3)14(21-4)15(19)18-13(11-22-16(18)20)10-12-8-6-5-7-9-12;1-9(2)10-15(6,7)20-13(18)16(10)12(17)11(19-8)14(3,4)5;1-9(2)11-15(7,8)19-13(18)16(11)12(17)10(3)14(4,5)6/h5-14,16,19-20H,15H2,1-4H3;4-13,19-20H,14-16H2,1-3H3;4-13,18-19H,14-15H2,1-3H3;8-12,14,16-17H,13H2,1-7H3;6-10,13,15-16H,11-12H2,1-5H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3/t16-,19+,20-;19-,20+;18?,19-;16?,17-;15-,16-;11-,13-,14+;13-,14+;2*10-,11+/m001010001/s1
InChIKeyJSWLQIXPUVSAEE-IJTNPEJSSA-N
MW2910.82 g/mol
LogP34.74
Rot. Bonds33

About (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 159014196) has the molecular formula C172H237N9O30 and a molecular weight of 2910.82 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID159014196
Molecular FormulaC172H237N9O30
Molecular Weight2910.82 g/mol
Exact Mass2908.73
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1c1ccccc1.CC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)[C@@H]1N(C(=O)C(Cc2ccccc2)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@@H]1N(C(=O)[C@@H](C)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C.C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C
InChIInChI=1S/2C23H27NO3.C22H25NO3.C21H31NO3.C19H27NO3.2C17H23NO4.C15H27NO4.C15H27NO3/c1-16-20(18-13-9-6-10-14-18)27-22(26)24(16)21(25)19(23(2,3)4)15-17-11-7-5-8-12-17;1-23(2,3)20(15-18-12-8-5-9-13-18)21(25)24-19(16-27-22(24)26)14-17-10-6-4-7-11-17;1-22(2,3)18(14-16-10-6-4-7-11-16)20(24)23-19(15-26-21(23)25)17-12-8-5-9-13-17;1-14(2)17-21(6,7)25-19(24)22(17)18(23)16(20(3,4)5)13-15-11-9-8-10-12-15;1-13(2)16-12-23-18(22)20(16)17(21)15(19(3,4)5)11-14-9-7-6-8-10-14;1-11-13(12-9-7-6-8-10-12)22-16(20)18(11)15(19)14(21-5)17(2,3)4;1-17(2,3)14(21-4)15(19)18-13(11-22-16(18)20)10-12-8-6-5-7-9-12;1-9(2)10-15(6,7)20-13(18)16(10)12(17)11(19-8)14(3,4)5;1-9(2)11-15(7,8)19-13(18)16(11)12(17)10(3)14(4,5)6/h5-14,16,19-20H,15H2,1-4H3;4-13,19-20H,14-16H2,1-3H3;4-13,18-19H,14-15H2,1-3H3;8-12,14,16-17H,13H2,1-7H3;6-10,13,15-16H,11-12H2,1-5H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3/t16-,19+,20-;19-,20+;18?,19-;16?,17-;15-,16-;11-,13-,14+;13-,14+;2*10-,11+/m001010001/s1
InChIKeyJSWLQIXPUVSAEE-IJTNPEJSSA-N
XLogP34.74
TPSA447.18 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002910.82
LogP ≤ 534.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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)-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
(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 157338901
(4S)-4-tert-butyl-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4-tert-butyl-3-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3,4-di(propan-2-yl)-1,3-oxazolidine-2-thione;(4S)-3,4-di(propan-2-yl)-1,3-oxazolidin-2-one;(4S)-4-ethyl-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4-ethyl-3-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4-methyl-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4-methyl-3-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4-(2-methylpropyl)-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4-(2-methylpropyl)-3-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4-phenyl-3-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-trimethyl-3-propan-2-yl-1,3-oxazolidine-2-thione;(4S)-4,5,5-trimethyl-3-propan-2-yl-1,3-oxazolidin-2-one
CID 157566623
(4R)-4-benzyl-3-[(2R,3S)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one;bis((4R)-4-benzyl-3-[(2S,3R)-2,4-dimethyl-3-phenylmethoxypentanoyl]-1,3-oxazolidin-2-one);(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-1,3-oxazolidin-2-one;(2R,3R)-4-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-methyl-4-oxo-2-phenylmethoxybutanal;(4R)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-propanoyl-1,3-oxazolidin-2-one;(2S,3R)-2,3,4-trimethylpentan-1-ol
CID 157874621
4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 158189854
[(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
3-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazolidine-2,4-dione;(4R)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one;methane;4-(2,2,4-trimethylpentan-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 158573623
3-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazolidine-2,4-dione;(4R)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one;methane;4-(2,2,4-trimethylpentan-3-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 158604197
3-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazolidine-2,4-dione;(4R)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2,2-dimethylpropyl)-4-phenyl-1,3-oxazolidin-2-one
CID 159400252
(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 159558390

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 159014196) is (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC(C)(C)C(Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1c1ccccc1.CC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.CC(C)[C@@H]1N(C(=O)C(Cc2ccccc2)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@@H]1N(C(=O)[C@@H](C)C(C)(C)C)C(=O)OC1(C)C.CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C)C(C)(C)C.CO[C@H](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.CO[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C.C[C@H]1[C@@H](c2ccccc2)OC(=O)N1C(=O)[C@@H](Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is JSWLQIXPUVSAEE-IJTNPEJSSA-N. The full InChI is InChI=1S/2C23H27NO3.C22H25NO3.C21H31NO3.C19H27NO3.2C17H23NO4.C15H27NO4.C15H27NO3/c1-16-20(18-13-9-6-10-14-18)27-22(26)24(16)21(25)19(23(2,3)4)15-17-11-7-5-8-12-17;1-23(2,3)20(15-18-12-8-5-9-13-18)21(25)24-19(16-27-22(24)26)14-17-10-6-4-7-11-17;1-22(2,3)18(14-16-10-6-4-7-11-16)20(24)23-19(15-26-21(23)25)17-12-8-5-9-13-17;1-14(2)17-21(6,7)25-19(24)22(17)18(23)16(20(3,4)5)13-15-11-9-8-10-12-15;1-13(2)16-12-23-18(22)20(16)17(21)15(19(3,4)5)11-14-9-7-6-8-10-14;1-11-13(12-9-7-6-8-10-12)22-16(20)18(11)15(19)14(21-5)17(2,3)4;1-17(2,3)14(21-4)15(19)18-13(11-22-16(18)20)10-12-8-6-5-7-9-12;1-9(2)10-15(6,7)20-13(18)16(10)12(17)11(19-8)14(3,4)5;1-9(2)11-15(7,8)19-13(18)16(11)12(17)10(3)14(4,5)6/h5-14,16,19-20H,15H2,1-4H3;4-13,19-20H,14-16H2,1-3H3;4-13,18-19H,14-15H2,1-3H3;8-12,14,16-17H,13H2,1-7H3;6-10,13,15-16H,11-12H2,1-5H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3/t16-,19+,20-;19-,20+;18?,19-;16?,17-;15-,16-;11-,13-,14+;13-,14+;2*10-,11+/m001010001/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 2910.82 g/mol, XLogP of 34.74, 33 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(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;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159014196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).