(2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine

C138H236N8O8 — CID 161239036

About (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine

(2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine (PubChem CID 161239036) has the molecular formula C138H236N8O8 and a molecular weight of 2135.45 g/mol. Its IUPAC name is (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine.

Molecular Properties

• Compound Name: (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine
• PubChem CID: 161239036
• Molecular Formula: C138H236N8O8
• Molecular Weight: 2135.45 g/mol
• Exact Mass: 2133.83
• IUPAC Name: (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine
• SMILES: CCC1(CC)O[C@@H](c2ccc(C)cc2)N[C@H]1CC(C)C.CCC1(CC)O[C@@H](c2cccc(C)c2)N[C@H]1CC(C)C.CCC1(CC)O[C@@H](c2ccccc2)N[C@H]1Cc1ccccc1.CCCCC[C@H]1N[C@@H](CC(C)C)C(CC)(CC)O1.CCCCC[C@H]1N[C@@H](Cc2ccccc2)C(CC)(CC)O1.CCCC[C@H]1N[C@@H](CC(C)C)C(CC)(CC)O1.CCCC[C@H]1N[C@@H](Cc2ccccc2)C(CC)(CC)O1.CCN1[C@H](C)OC(CC)(CC)[C@@H]1CC(C)C
• InChI: InChI=1S/C20H25NO.C19H31NO.3C18H29NO.C16H33NO.C15H31NO.C14H29NO/c1-3-20(4-2)18(15-16-11-7-5-8-12-16)21-19(22-20)17-13-9-6-10-14-17;1-4-7-9-14-18-20-17(19(5-2,6-3)21-18)15-16-12-10-8-11-13-16;1-6-18(7-2)16(12-13(3)4)19-17(20-18)15-10-8-14(5)9-11-15;1-6-18(7-2)16(11-13(3)4)19-17(20-18)15-10-8-9-14(5)12-15;1-4-7-13-17-19-16(18(5-2,6-3)20-17)14-15-11-9-8-10-12-15;1-6-9-10-11-15-17-14(12-13(4)5)16(7-2,8-3)18-15;1-6-9-10-14-16-13(11-12(4)5)15(7-2,8-3)17-14;1-7-14(8-2)13(10-11(4)5)15(9-3)12(6)16-14/h5-14,18-19,21H,3-4,15H2,1-2H3;8,10-13,17-18,20H,4-7,9,14-15H2,1-3H3;8-11,13,16-17,19H,6-7,12H2,1-5H3;8-10,12-13,16-17,19H,6-7,11H2,1-5H3;8-12,16-17,19H,4-7,13-14H2,1-3H3;13-15,17H,6-12H2,1-5H3;12-14,16H,6-11H2,1-5H3;11-13H,7-10H2,1-6H3/t18-,19-;17-,18-;3*16-,17-;14-,15-;13-,14-;12-,13-/m00000000/s1
• InChIKey: UZTGYFGIZBJNJT-CGEGAHLVSA-N
• XLogP: 34.86
• TPSA: 161.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 50
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.45
LogP ≤ 5	34.86
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine?

The IUPAC name of (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine (CID 161239036) is (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine.

What is the SMILES notation for (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine?

The canonical SMILES for (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine is CCC1(CC)O[C@@H](c2ccc(C)cc2)N[C@H]1CC(C)C.CCC1(CC)O[C@@H](c2cccc(C)c2)N[C@H]1CC(C)C.CCC1(CC)O[C@@H](c2ccccc2)N[C@H]1Cc1ccccc1.CCCCC[C@H]1N[C@@H](CC(C)C)C(CC)(CC)O1.CCCCC[C@H]1N[C@@H](Cc2ccccc2)C(CC)(CC)O1.CCCC[C@H]1N[C@@H](CC(C)C)C(CC)(CC)O1.CCCC[C@H]1N[C@@H](Cc2ccccc2)C(CC)(CC)O1.CCN1[C@H](C)OC(CC)(CC)[C@@H]1CC(C)C.

What is the InChIKey of (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine?

The InChIKey is UZTGYFGIZBJNJT-CGEGAHLVSA-N. The full InChI is InChI=1S/C20H25NO.C19H31NO.3C18H29NO.C16H33NO.C15H31NO.C14H29NO/c1-3-20(4-2)18(15-16-11-7-5-8-12-16)21-19(22-20)17-13-9-6-10-14-17;1-4-7-9-14-18-20-17(19(5-2,6-3)21-18)15-16-12-10-8-11-13-16;1-6-18(7-2)16(12-13(3)4)19-17(20-18)15-10-8-14(5)9-11-15;1-6-18(7-2)16(11-13(3)4)19-17(20-18)15-10-8-9-14(5)12-15;1-4-7-13-17-19-16(18(5-2,6-3)20-17)14-15-11-9-8-10-12-15;1-6-9-10-11-15-17-14(12-13(4)5)16(7-2,8-3)18-15;1-6-9-10-14-16-13(11-12(4)5)15(7-2,8-3)17-14;1-7-14(8-2)13(10-11(4)5)15(9-3)12(6)16-14/h5-14,18-19,21H,3-4,15H2,1-2H3;8,10-13,17-18,20H,4-7,9,14-15H2,1-3H3;8-11,13,16-17,19H,6-7,12H2,1-5H3;8-10,12-13,16-17,19H,6-7,11H2,1-5H3;8-12,16-17,19H,4-7,13-14H2,1-3H3;13-15,17H,6-12H2,1-5H3;12-14,16H,6-11H2,1-5H3;11-13H,7-10H2,1-6H3/t18-,19-;17-,18-;3*16-,17-;14-,15-;13-,14-;12-,13-/m00000000/s1.

What are the key properties of (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine?

(2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine has a molecular weight of 2135.45 g/mol, XLogP of 34.86, 50 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-benzyl-2-butyl-5,5-diethyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-pentyl-1,3-oxazolidine;(2S,4S)-4-benzyl-5,5-diethyl-2-phenyl-1,3-oxazolidine;(2S,4S)-2-butyl-5,5-diethyl-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(3-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-2-(4-methylphenyl)-4-(2-methylpropyl)-1,3-oxazolidine;(2S,4S)-5,5-diethyl-4-(2-methylpropyl)-2-pentyl-1,3-oxazolidine;(2S,4S)-3,5,5-triethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidine is sourced from PubChem (CID 161239036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).