methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate

C18H16ClNO5 — CID 18997214

IUPACmethyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2COC(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO5/c1-23-17(21)12-2-8-16(9-3-12)24-10-15-11-25-18(22)20(15)14-6-4-13(19)5-7-14/h2-9,15H,10-11H2,1H3
InChIKeyUMXMMULQVHVAIQ-UHFFFAOYSA-N
MW361.78 g/mol
LogP3.53
Rot. Bonds5

About methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate

methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate (PubChem CID 18997214) has the molecular formula C18H16ClNO5 and a molecular weight of 361.78 g/mol. Its IUPAC name is methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate
PubChem CID18997214
Molecular FormulaC18H16ClNO5
Molecular Weight361.78 g/mol
Exact Mass361.07
IUPAC Namemethyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCC2COC(=O)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H16ClNO5/c1-23-17(21)12-2-8-16(9-3-12)24-10-15-11-25-18(22)20(15)14-6-4-13(19)5-7-14/h2-9,15H,10-11H2,1H3
InChIKeyUMXMMULQVHVAIQ-UHFFFAOYSA-N
XLogP3.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate (CID 18997214) is methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate is COC(=O)c1ccc(OCC2COC(=O)N2c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate?
The InChIKey is UMXMMULQVHVAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5/c1-23-17(21)12-2-8-16(9-3-12)24-10-15-11-25-18(22)20(15)14-6-4-13(19)5-7-14/h2-9,15H,10-11H2,1H3.
What are the key properties of methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate?
methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate has a molecular weight of 361.78 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate is sourced from PubChem (CID 18997214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).