(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

C119H180N6O6 — CID 158540619

About (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

(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 (PubChem CID 158540619) has the molecular formula C119H180N6O6 and a molecular weight of 1790.78 g/mol. Its IUPAC name is (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.

Molecular Properties

• Compound Name: (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
• PubChem CID: 158540619
• Molecular Formula: C119H180N6O6
• Molecular Weight: 1790.78 g/mol
• Exact Mass: 1789.40
• IUPAC Name: (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
• SMILES: CCC(C)[C@@H]1N[C@H](c2ccc(C)cc2)OC1(CC)CC.CCC(C)[C@@H]1N[C@H](c2cccc(C)c2)OC1(CC)CC.CCC1(CC)O[C@@H](c2ccc(C)cc2)N[C@H]1Cc1ccccc1.CCC1(CC)O[C@@H](c2cccc(C)c2)N[C@H]1Cc1ccccc1.CCCCC[C@H]1N[C@@H](Cc2ccccc2)C(CCC)(CCC)O1.CCCC[C@H]1N[C@@H](Cc2ccccc2)C(CCC)(CCC)O1
• InChI: InChI=1S/2C21H27NO.C21H35NO.C20H33NO.2C18H29NO/c1-4-21(5-2)19(15-17-11-7-6-8-12-17)22-20(23-21)18-13-9-10-16(3)14-18;1-4-21(5-2)19(15-17-9-7-6-8-10-17)22-20(23-21)18-13-11-16(3)12-14-18;1-4-7-9-14-20-22-19(17-18-12-10-8-11-13-18)21(23-20,15-5-2)16-6-3;1-4-7-13-19-21-18(16-17-11-9-8-10-12-17)20(22-19,14-5-2)15-6-3;1-6-14(5)16-18(7-2,8-3)20-17(19-16)15-11-9-13(4)10-12-15;1-6-14(5)16-18(7-2,8-3)20-17(19-16)15-11-9-10-13(4)12-15/h2*6-14,19-20,22H,4-5,15H2,1-3H3;8,10-13,19-20,22H,4-7,9,14-17H2,1-3H3;8-12,18-19,21H,4-7,13-16H2,1-3H3;2*9-12,14,16-17,19H,6-8H2,1-5H3/t3*19-,20-;18-,19-;2*14?,16-,17-/m000000/s1
• InChIKey: HOLWDUBGDSYNJU-XYXUQADPSA-N
• XLogP: 29.28
• TPSA: 127.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 39
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1790.78
LogP ≤ 5	29.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

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-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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is CCC(C)[C@@H]1N[C@H](c2ccc(C)cc2)OC1(CC)CC.CCC(C)[C@@H]1N[C@H](c2cccc(C)c2)OC1(CC)CC.CCC1(CC)O[C@@H](c2ccc(C)cc2)N[C@H]1Cc1ccccc1.CCC1(CC)O[C@@H](c2cccc(C)c2)N[C@H]1Cc1ccccc1.CCCCC[C@H]1N[C@@H](Cc2ccccc2)C(CCC)(CCC)O1.CCCC[C@H]1N[C@@H](Cc2ccccc2)C(CCC)(CCC)O1.

What is the InChIKey of (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?

The InChIKey is HOLWDUBGDSYNJU-XYXUQADPSA-N. The full InChI is InChI=1S/2C21H27NO.C21H35NO.C20H33NO.2C18H29NO/c1-4-21(5-2)19(15-17-11-7-6-8-12-17)22-20(23-21)18-13-9-10-16(3)14-18;1-4-21(5-2)19(15-17-9-7-6-8-10-17)22-20(23-21)18-13-11-16(3)12-14-18;1-4-7-9-14-20-22-19(17-18-12-10-8-11-13-18)21(23-20,15-5-2)16-6-3;1-4-7-13-19-21-18(16-17-11-9-8-10-12-17)20(22-19,14-5-2)15-6-3;1-6-14(5)16-18(7-2,8-3)20-17(19-16)15-11-9-13(4)10-12-15;1-6-14(5)16-18(7-2,8-3)20-17(19-16)15-11-9-10-13(4)12-15/h2*6-14,19-20,22H,4-5,15H2,1-3H3;8,10-13,19-20,22H,4-7,9,14-17H2,1-3H3;8-12,18-19,21H,4-7,13-16H2,1-3H3;2*9-12,14,16-17,19H,6-8H2,1-5H3/t3*19-,20-;18-,19-;2*14?,16-,17-/m000000/s1.

What are the key properties of (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?

(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 has a molecular weight of 1790.78 g/mol, XLogP of 29.28, 39 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 158540619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).