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)

C127H197N7O7 — CID 158374624

IUPACbis((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)
SMILESCCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCCC1(CCCC)O[C@@H](C)N(CCC)[C@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C
InChIInChI=1S/2C22H29NO.C19H39NO.2C17H27NO.2C15H23NO/c2*1-5-23-18(4)24-22(21(23)16-17(2)3,19-12-8-6-9-13-19)20-14-10-7-11-15-20;1-7-10-12-19(13-11-8-2)18(15-16(4)5)20(14-9-3)17(6)21-19;2*1-4-11-17(12-5-2)16(18-14(3)19-17)13-15-9-7-6-8-10-15;2*1-4-15(5-2)14(16-12(3)17-15)11-13-9-7-6-8-10-13/h2*6-15,17-18,21H,5,16H2,1-4H3;16-18H,7-15H2,1-6H3;2*6-10,14,16,18H,4-5,11-13H2,1-3H3;2*6-10,12,14,16H,4-5,11H2,1-3H3/t2*18-,21-;17-,18-;2*14-,16-;2*12-,14-/m0000000/s1
InChIKeyGVAQCASKNIKECQ-URZPESGUSA-N
MW1934.01 g/mol
LogP29.74
Rot. Bonds40

About 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)

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) (PubChem CID 158374624) has the molecular formula C127H197N7O7 and a molecular weight of 1934.01 g/mol. Its IUPAC name is 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).

Molecular Properties

Compound Namebis((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)
PubChem CID158374624
Molecular FormulaC127H197N7O7
Molecular Weight1934.01 g/mol
Exact Mass1932.53
IUPAC Namebis((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)
SMILESCCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCCC1(CCCC)O[C@@H](C)N(CCC)[C@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C
InChIInChI=1S/2C22H29NO.C19H39NO.2C17H27NO.2C15H23NO/c2*1-5-23-18(4)24-22(21(23)16-17(2)3,19-12-8-6-9-13-19)20-14-10-7-11-15-20;1-7-10-12-19(13-11-8-2)18(15-16(4)5)20(14-9-3)17(6)21-19;2*1-4-11-17(12-5-2)16(18-14(3)19-17)13-15-9-7-6-8-10-15;2*1-4-15(5-2)14(16-12(3)17-15)11-13-9-7-6-8-10-13/h2*6-15,17-18,21H,5,16H2,1-4H3;16-18H,7-15H2,1-6H3;2*6-10,14,16,18H,4-5,11-13H2,1-3H3;2*6-10,12,14,16H,4-5,11H2,1-3H3/t2*18-,21-;17-,18-;2*14-,16-;2*12-,14-/m0000000/s1
InChIKeyGVAQCASKNIKECQ-URZPESGUSA-N
XLogP29.74
TPSA122.45 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.01
LogP ≤ 529.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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) 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

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)-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
[(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
bis((2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine);bis((2R,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine);(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-phenyl-1,3-oxazolidine;bis((2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidine);(2R,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine
CID 158635801
(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
methane;(4S,5R)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-1,3-oxazolidin-2-one;(4S,5R)-5-phenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4,5,5-triphenyl-1,3-oxazolidin-2-one
CID 159685196
tert-butyl (2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine
CID 159695662
4-benzyl-1,3-oxazolidin-2-one;(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 160285717
(4S)-4-benzyl-1,3-oxazolidin-2-one;(4S)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 160285718
4-Benzyl-1,3-oxazolidin-2-one;5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one;4-propan-2-yl-1,3-oxazolidin-2-one
CID 160285719
benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine
CID 160940921

Frequently Asked Questions

What is the IUPAC name of 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)?
The IUPAC name of 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) is 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).
What is the SMILES notation for 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)?
The canonical SMILES for 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) is CCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCC1(CC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCC1(CCC)O[C@@H](C)N[C@H]1Cc1ccccc1.CCCCC1(CCCC)O[C@@H](C)N(CCC)[C@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C.CCN1[C@H](C)OC(c2ccccc2)(c2ccccc2)[C@@H]1CC(C)C.
What is the InChIKey of 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)?
The InChIKey is GVAQCASKNIKECQ-URZPESGUSA-N. The full InChI is InChI=1S/2C22H29NO.C19H39NO.2C17H27NO.2C15H23NO/c2*1-5-23-18(4)24-22(21(23)16-17(2)3,19-12-8-6-9-13-19)20-14-10-7-11-15-20;1-7-10-12-19(13-11-8-2)18(15-16(4)5)20(14-9-3)17(6)21-19;2*1-4-11-17(12-5-2)16(18-14(3)19-17)13-15-9-7-6-8-10-15;2*1-4-15(5-2)14(16-12(3)17-15)11-13-9-7-6-8-10-13/h2*6-15,17-18,21H,5,16H2,1-4H3;16-18H,7-15H2,1-6H3;2*6-10,14,16,18H,4-5,11-13H2,1-3H3;2*6-10,12,14,16H,4-5,11H2,1-3H3/t2*18-,21-;17-,18-;2*14-,16-;2*12-,14-/m0000000/s1.
What are the key properties of 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)?
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) has a molecular weight of 1934.01 g/mol, XLogP of 29.74, 40 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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) is sourced from PubChem (CID 158374624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).