tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C33H50N2O8 — CID 70123713

About tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 70123713) has the molecular formula C33H50N2O8 and a molecular weight of 602.77 g/mol. Its IUPAC name is tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• PubChem CID: 70123713
• Molecular Formula: C33H50N2O8
• Molecular Weight: 602.77 g/mol
• Exact Mass: 602.36
• IUPAC Name: tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• SMILES: CC(C)C1COC(=O)N1C(=O)C(OCc1ccccc1)C(O)C1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CC1CCCCC1
• InChI: InChI=1S/C33H50N2O8/c1-21(2)25-20-41-30(38)34(25)29(37)28(40-19-23-16-12-9-13-17-23)26(36)27-24(18-22-14-10-8-11-15-22)35(33(6,7)42-27)31(39)43-32(3,4)5/h9,12-13,16-17,21-22,24-28,36H,8,10-11,14-15,18-20H2,1-7H3/t24-,25?,26?,27?,28?/m1/s1
• InChIKey: SKTWRWOZJVGCFP-KTTODTSBSA-N
• XLogP: 5.65
• TPSA: 114.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.77
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The IUPAC name of tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 70123713) is tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

What is the SMILES notation for tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The canonical SMILES for tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)C1COC(=O)N1C(=O)C(OCc1ccccc1)C(O)C1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CC1CCCCC1.

What is the InChIKey of tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

The InChIKey is SKTWRWOZJVGCFP-KTTODTSBSA-N. The full InChI is InChI=1S/C33H50N2O8/c1-21(2)25-20-41-30(38)34(25)29(37)28(40-19-23-16-12-9-13-17-23)26(36)27-24(18-22-14-10-8-11-15-22)35(33(6,7)42-27)31(39)43-32(3,4)5/h9,12-13,16-17,21-22,24-28,36H,8,10-11,14-15,18-20H2,1-7H3/t24-,25?,26?,27?,28?/m1/s1.

What are the key properties of tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?

tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 602.77 g/mol, XLogP of 5.65, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4R)-4-(cyclohexylmethyl)-5-[1-hydroxy-3-oxo-3-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)-2-phenylmethoxypropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 70123713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).