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

C179H261N11O38 — CID 160946193

IUPAC(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.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](C)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]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)OC[C@@H]1c1ccccc1)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](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C
InChIInChI=1S/C23H27NO3.2C17H23NO4.2C17H23NO3.C16H21NO4.C16H21NO3.C15H27NO4.C15H27NO3.C13H23NO4.C13H23NO3/c1-23(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;1-11-13(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;1-11(17(3,4)5)15(19)18-12(2)14(21-16(18)20)13-9-7-6-8-10-13;1-12(17(2,3)4)15(19)18-14(11-21-16(18)20)10-13-8-6-5-7-9-13;1-16(2,3)13(20-4)14(18)17-12(10-21-15(17)19)11-8-6-5-7-9-11;1-11(16(2,3)4)14(18)17-13(10-20-15(17)19)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;1-8(2)9-7-18-12(16)14(9)11(15)10(17-6)13(3,4)5;1-8(2)10-7-17-12(16)14(10)11(15)9(3)13(4,5)6/h4-13,19-20H,14-16H2,1-3H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;6-12,14H,1-5H3;5-9,12,14H,10-11H2,1-4H3;5-9,12-13H,10H2,1-4H3;5-9,11,13H,10H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3;8-10H,7H2,1-6H3;8-10H,7H2,1-6H3/t19-,20+;11-,13-,14+;13-,14+;11-,12+,14+;12-,14+;12-,13-;11-,13-;2*10-,11+;2*9-,10-/m00011110111/s1
InChIKeySVDJWJDWFMSDJT-MAOZQAEMSA-N
MW3175.10 g/mol
LogP34.47
Rot. Bonds32

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

(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one (PubChem CID 160946193) has the molecular formula C179H261N11O38 and a molecular weight of 3175.10 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
PubChem CID160946193
Molecular FormulaC179H261N11O38
Molecular Weight3175.10 g/mol
Exact Mass3172.88
IUPAC Name(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.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](C)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]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)OC[C@@H]1c1ccccc1)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](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)C(C)(C)C
InChIInChI=1S/C23H27NO3.2C17H23NO4.2C17H23NO3.C16H21NO4.C16H21NO3.C15H27NO4.C15H27NO3.C13H23NO4.C13H23NO3/c1-23(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;1-11-13(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;1-11(17(3,4)5)15(19)18-12(2)14(21-16(18)20)13-9-7-6-8-10-13;1-12(17(2,3)4)15(19)18-14(11-21-16(18)20)10-13-8-6-5-7-9-13;1-16(2,3)13(20-4)14(18)17-12(10-21-15(17)19)11-8-6-5-7-9-11;1-11(16(2,3)4)14(18)17-13(10-20-15(17)19)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;1-8(2)9-7-18-12(16)14(9)11(15)10(17-6)13(3,4)5;1-8(2)10-7-17-12(16)14(10)11(15)9(3)13(4,5)6/h4-13,19-20H,14-16H2,1-3H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;6-12,14H,1-5H3;5-9,12,14H,10-11H2,1-4H3;5-9,12-13H,10H2,1-4H3;5-9,11,13H,10H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3;8-10H,7H2,1-6H3;8-10H,7H2,1-6H3/t19-,20+;11-,13-,14+;13-,14+;11-,12+,14+;12-,14+;12-,13-;11-,13-;2*10-,11+;2*9-,10-/m00011110111/s1
InChIKeySVDJWJDWFMSDJT-MAOZQAEMSA-N
XLogP34.47
TPSA558.86 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds32
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003175.10
LogP ≤ 534.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

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

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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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one (CID 160946193) is (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one is CC(C)(C)[C@H](Cc1ccccc1)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1.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](C)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]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)OC[C@@H]1c1ccccc1)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](C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)C(C)(C)C.C[C@H](C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C)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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one?
The InChIKey is SVDJWJDWFMSDJT-MAOZQAEMSA-N. The full InChI is InChI=1S/C23H27NO3.2C17H23NO4.2C17H23NO3.C16H21NO4.C16H21NO3.C15H27NO4.C15H27NO3.C13H23NO4.C13H23NO3/c1-23(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;1-11-13(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;1-11(17(3,4)5)15(19)18-12(2)14(21-16(18)20)13-9-7-6-8-10-13;1-12(17(2,3)4)15(19)18-14(11-21-16(18)20)10-13-8-6-5-7-9-13;1-16(2,3)13(20-4)14(18)17-12(10-21-15(17)19)11-8-6-5-7-9-11;1-11(16(2,3)4)14(18)17-13(10-20-15(17)19)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;1-8(2)9-7-18-12(16)14(9)11(15)10(17-6)13(3,4)5;1-8(2)10-7-17-12(16)14(10)11(15)9(3)13(4,5)6/h4-13,19-20H,14-16H2,1-3H3;6-11,13-14H,1-5H3;5-9,13-14H,10-11H2,1-4H3;6-12,14H,1-5H3;5-9,12,14H,10-11H2,1-4H3;5-9,12-13H,10H2,1-4H3;5-9,11,13H,10H2,1-4H3;9-11H,1-8H3;9-11H,1-8H3;8-10H,7H2,1-6H3;8-10H,7H2,1-6H3/t19-,20+;11-,13-,14+;13-,14+;11-,12+,14+;12-,14+;12-,13-;11-,13-;2*10-,11+;2*9-,10-/m00011110111/s1.
What are the key properties of (4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(2S)-2-benzyl-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one has a molecular weight of 3175.10 g/mol, XLogP of 34.47, 32 rotatable bonds, 0 hydrogen bond donors, and 38 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)-4-benzyl-3-[(2S)-2-methoxy-3,3-dimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-benzyl-3-[(2S)-2,3,3-trimethylbutanoyl]-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;(4S,5R)-4-methyl-5-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-3-[(2S)-2,3,3-trimethylbutanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 160946193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).