(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)

C159H271N9O9 — CID 159066148

About (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)

(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) (PubChem CID 159066148) has the molecular formula C159H271N9O9 and a molecular weight of 2452.97 g/mol. Its IUPAC name is (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).

Molecular Properties

• Compound Name: (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)
• PubChem CID: 159066148
• Molecular Formula: C159H271N9O9
• Molecular Weight: 2452.97 g/mol
• Exact Mass: 2451.10
• IUPAC Name: (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)
• SMILES: CCC1(CC)OC(C)N[C@H]1Cc1ccccc1.CCCC1(CCC)OC(C)N[C@H]1Cc1ccccc1.CCCC1(CCC)OC(C)N[C@H]1Cc1ccccc1.CCCCC1(CCCC)O[C@H](C)N(CCC)[C@H]1CC(C)C.CCCCC1(CCCC)O[C@H](C)N(CCC)[C@H]1CC(C)C.CCN1[C@@H](CC(C)C)C(CC)(CC)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(CC)(CC)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(c2ccccc2)(c2ccccc2)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(c2ccccc2)(c2ccccc2)O[C@@H]1C
• InChI: InChI=1S/2C22H29NO.2C19H39NO.2C17H27NO.C15H23NO.2C14H29NO/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;2*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;1-4-15(5-2)14(16-12(3)17-15)11-13-9-7-6-8-10-13;2*1-7-14(8-2)13(10-11(4)5)15(9-3)12(6)16-14/h2*6-15,17-18,21H,5,16H2,1-4H3;2*16-18H,7-15H2,1-6H3;2*6-10,14,16,18H,4-5,11-13H2,1-3H3;6-10,12,14,16H,4-5,11H2,1-3H3;2*11-13H,7-10H2,1-6H3/t2*18-,21+;2*17-,18+;2*14?,16-;12?,14-;2*12-,13+/m111100011/s1
• InChIKey: JZBPYJHJXBRFHL-DNEJNZQESA-N
• XLogP: 39.55
• TPSA: 138.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 56
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2452.97
LogP ≤ 5	39.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (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)?

The IUPAC name of (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) is (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).

What is the SMILES notation for (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)?

The canonical SMILES for (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) is CCC1(CC)OC(C)N[C@H]1Cc1ccccc1.CCCC1(CCC)OC(C)N[C@H]1Cc1ccccc1.CCCC1(CCC)OC(C)N[C@H]1Cc1ccccc1.CCCCC1(CCCC)O[C@H](C)N(CCC)[C@H]1CC(C)C.CCCCC1(CCCC)O[C@H](C)N(CCC)[C@H]1CC(C)C.CCN1[C@@H](CC(C)C)C(CC)(CC)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(CC)(CC)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(c2ccccc2)(c2ccccc2)O[C@@H]1C.CCN1[C@@H](CC(C)C)C(c2ccccc2)(c2ccccc2)O[C@@H]1C.

What is the InChIKey of (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)?

The InChIKey is JZBPYJHJXBRFHL-DNEJNZQESA-N. The full InChI is InChI=1S/2C22H29NO.2C19H39NO.2C17H27NO.C15H23NO.2C14H29NO/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;2*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;1-4-15(5-2)14(16-12(3)17-15)11-13-9-7-6-8-10-13;2*1-7-14(8-2)13(10-11(4)5)15(9-3)12(6)16-14/h2*6-15,17-18,21H,5,16H2,1-4H3;2*16-18H,7-15H2,1-6H3;2*6-10,14,16,18H,4-5,11-13H2,1-3H3;6-10,12,14,16H,4-5,11H2,1-3H3;2*11-13H,7-10H2,1-6H3/t2*18-,21+;2*17-,18+;2*14?,16-;12?,14-;2*12-,13+/m111100011/s1.

What are the key properties of (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)?

(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) has a molecular weight of 2452.97 g/mol, XLogP of 39.55, 56 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (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) is sourced from PubChem (CID 159066148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).