methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate

C16H19NO6 — CID 18474853

IUPACmethyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CC1OC(=O)N(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-10(11-7-5-4-6-8-11)17-14(15(19)22-3)12(23-16(17)20)9-13(18)21-2/h4-8,10,12,14H,9H2,1-3H3
InChIKeyRBBHTRWHLJKWIL-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.67
Rot. Bonds5

About methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate

methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 18474853) has the molecular formula C16H19NO6 and a molecular weight of 321.33 g/mol. Its IUPAC name is methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID18474853
Molecular FormulaC16H19NO6
Molecular Weight321.33 g/mol
Exact Mass321.12
IUPAC Namemethyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CC1OC(=O)N(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H19NO6/c1-10(11-7-5-4-6-8-11)17-14(15(19)22-3)12(23-16(17)20)9-13(18)21-2/h4-8,10,12,14H,9H2,1-3H3
InChIKeyRBBHTRWHLJKWIL-UHFFFAOYSA-N
XLogP1.67
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate (CID 18474853) is methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)CC1OC(=O)N(C(C)c2ccccc2)C1C(=O)OC.
What is the InChIKey of methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is RBBHTRWHLJKWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6/c1-10(11-7-5-4-6-8-11)17-14(15(19)22-3)12(23-16(17)20)9-13(18)21-2/h4-8,10,12,14H,9H2,1-3H3.
What are the key properties of methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate?
methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 321.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 18474853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).