(4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane

C57H59ClN2O10 — CID 157224934

About (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane

(4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane (PubChem CID 157224934) has the molecular formula C57H59ClN2O10 and a molecular weight of 967.56 g/mol. Its IUPAC name is (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane.

Molecular Properties

• Compound Name: (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane
• PubChem CID: 157224934
• Molecular Formula: C57H59ClN2O10
• Molecular Weight: 967.56 g/mol
• Exact Mass: 966.39
• IUPAC Name: (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane
• SMILES: C.Cc1ccc(C(=O)OCc2ccc(CC(=O)Cl)cc2)c(C)c1.Cc1ccc(C(=O)OCc2ccc(CC(=O)N3C(=O)OC[C@H]3Cc3ccccc3)cc2)c(C)c1.O=C1N[C@H](Cc2ccccc2)CO1
• InChI: InChI=1S/C28H27NO5.C18H17ClO3.C10H11NO2.CH4/c1-19-8-13-25(20(2)14-19)27(31)33-17-23-11-9-22(10-12-23)16-26(30)29-24(18-34-28(29)32)15-21-6-4-3-5-7-21;1-12-3-8-16(13(2)9-12)18(21)22-11-15-6-4-14(5-7-15)10-17(19)20;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;/h3-14,24H,15-18H2,1-2H3;3-9H,10-11H2,1-2H3;1-5,9H,6-7H2,(H,11,12);1H4/t24-;;9-;/m1.1./s1
• InChIKey: ATKUQIVCJYPICF-AKFFOVOPSA-N
• XLogP: 10.73
• TPSA: 154.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.56
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane?

The IUPAC name of (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane (CID 157224934) is (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane.

What is the SMILES notation for (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane?

The canonical SMILES for (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane is C.Cc1ccc(C(=O)OCc2ccc(CC(=O)Cl)cc2)c(C)c1.Cc1ccc(C(=O)OCc2ccc(CC(=O)N3C(=O)OC[C@H]3Cc3ccccc3)cc2)c(C)c1.O=C1N[C@H](Cc2ccccc2)CO1.

What is the InChIKey of (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane?

The InChIKey is ATKUQIVCJYPICF-AKFFOVOPSA-N. The full InChI is InChI=1S/C28H27NO5.C18H17ClO3.C10H11NO2.CH4/c1-19-8-13-25(20(2)14-19)27(31)33-17-23-11-9-22(10-12-23)16-26(30)29-24(18-34-28(29)32)15-21-6-4-3-5-7-21;1-12-3-8-16(13(2)9-12)18(21)22-11-15-6-4-14(5-7-15)10-17(19)20;12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;/h3-14,24H,15-18H2,1-2H3;3-9H,10-11H2,1-2H3;1-5,9H,6-7H2,(H,11,12);1H4/t24-;;9-;/m1.1./s1.

What are the key properties of (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane?

(4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane has a molecular weight of 967.56 g/mol, XLogP of 10.73, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-benzyl-1,3-oxazolidin-2-one;[4-[2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-oxoethyl]phenyl]methyl 2,4-dimethylbenzoate;[4-(2-chloro-2-oxoethyl)phenyl]methyl 2,4-dimethylbenzoate;methane is sourced from PubChem (CID 157224934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).