methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate

C18H23NO6 — CID 58891727

IUPACmethyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CC1(c2ccccc2)COC(=O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C18H23NO6/c1-17(2,3)25-15(21)11-19-16(22)24-12-18(19,10-14(20)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyMQMNHOLNUWNHQL-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.24
Rot. Bonds5

About methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate

methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 58891727) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
PubChem CID58891727
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Namemethyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate
SMILESCOC(=O)CC1(c2ccccc2)COC(=O)N1CC(=O)OC(C)(C)C
InChIInChI=1S/C18H23NO6/c1-17(2,3)25-15(21)11-19-16(22)24-12-18(19,10-14(20)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3
InChIKeyMQMNHOLNUWNHQL-UHFFFAOYSA-N
XLogP2.24
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.24
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 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate (CID 58891727) is methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate is COC(=O)CC1(c2ccccc2)COC(=O)N1CC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is MQMNHOLNUWNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6/c1-17(2,3)25-15(21)11-19-16(22)24-12-18(19,10-14(20)23-4)13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3.
What are the key properties of methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate?
methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 349.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4-phenyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 58891727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).