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

C21H23NO4 — CID 12010028

IUPACmethyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-15(17-11-7-4-8-12-17)22-19(20(23)25-2)18(26-21(22)24)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyHKDDQHWHOZTZQV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.74
Rot. Bonds6

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

methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 12010028) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
PubChem CID12010028
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1ccccc1
InChIInChI=1S/C21H23NO4/c1-15(17-11-7-4-8-12-17)22-19(20(23)25-2)18(26-21(22)24)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3
InChIKeyHKDDQHWHOZTZQV-UHFFFAOYSA-N
XLogP3.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate (CID 12010028) is methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is COC(=O)C1C(CCc2ccccc2)OC(=O)N1C(C)c1ccccc1.
What is the InChIKey of methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is HKDDQHWHOZTZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15(17-11-7-4-8-12-17)22-19(20(23)25-2)18(26-21(22)24)14-13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3.
What are the key properties of methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate?
methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-3-(1-phenylethyl)-5-(2-phenylethyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 12010028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).