4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene

C75H110N6O19 — CID 91067738

About 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene

4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene (PubChem CID 91067738) has the molecular formula C75H110N6O19 and a molecular weight of 1399.73 g/mol. Its IUPAC name is 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene.

Molecular Properties

• Compound Name: 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene
• PubChem CID: 91067738
• Molecular Formula: C75H110N6O19
• Molecular Weight: 1399.73 g/mol
• Exact Mass: 1398.78
• IUPAC Name: 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene
• SMILES: C=CC.CC(C)(C)OC(=O)N1C(CCC(=O)N2C(=O)OCC2Cc2ccccc2)COC1(C)C.CC(C)(C)OC(=O)N1C(CCC(=O)O)COC1(C)C.CCCC(CC1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)N1C(=O)OCC1Cc1ccccc1.O=C1NC(Cc2ccccc2)CO1
• InChI: InChI=1S/C26H38N2O6.C23H32N2O6.C13H23NO5.C10H11NO2.C3H6/c1-7-11-19(15-21-17-33-26(5,6)28(21)24(31)34-25(2,3)4)22(29)27-20(16-32-23(27)30)14-18-12-9-8-10-13-18;1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-12(2,3)19-11(17)14-9(6-7-10(15)16)8-18-13(14,4)5;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;1-3-2/h8-10,12-13,19-21H,7,11,14-17H2,1-6H3;6-10,17-18H,11-15H2,1-5H3;9H,6-8H2,1-5H3,(H,15,16);1-5,9H,6-7H2,(H,11,12);3H,1H2,2H3
• InChIKey: DMCHEFYVFPQTEJ-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 285.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.73
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene?

The IUPAC name of 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene (CID 91067738) is 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene.

What is the SMILES notation for 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene?

The canonical SMILES for 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene is C=CC.CC(C)(C)OC(=O)N1C(CCC(=O)N2C(=O)OCC2Cc2ccccc2)COC1(C)C.CC(C)(C)OC(=O)N1C(CCC(=O)O)COC1(C)C.CCCC(CC1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)N1C(=O)OCC1Cc1ccccc1.O=C1NC(Cc2ccccc2)CO1.

What is the InChIKey of 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene?

The InChIKey is DMCHEFYVFPQTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O6.C23H32N2O6.C13H23NO5.C10H11NO2.C3H6/c1-7-11-19(15-21-17-33-26(5,6)28(21)24(31)34-25(2,3)4)22(29)27-20(16-32-23(27)30)14-18-12-9-8-10-13-18;1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-12(2,3)19-11(17)14-9(6-7-10(15)16)8-18-13(14,4)5;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;1-3-2/h8-10,12-13,19-21H,7,11,14-17H2,1-6H3;6-10,17-18H,11-15H2,1-5H3;9H,6-8H2,1-5H3,(H,15,16);1-5,9H,6-7H2,(H,11,12);3H,1H2,2H3.

What are the key properties of 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene?

4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene has a molecular weight of 1399.73 g/mol, XLogP of 13.24, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-1,3-oxazolidin-2-one;tert-butyl 4-[2-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)pentyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;tert-butyl 4-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;3-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]propanoic acid;prop-1-ene is sourced from PubChem (CID 91067738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).