5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

C11H12ClNO4 — CID 21496492

IUPAC5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(Cl)cc1OCC1CNC(=O)O1
InChIInChI=1S/C11H12ClNO4/c1-15-9-3-2-7(12)4-10(9)16-6-8-5-13-11(14)17-8/h2-4,8H,5-6H2,1H3,(H,13,14)
InChIKeyQYBKHSGBXUGKOP-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.84
Rot. Bonds4

About 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one

5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 21496492) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID21496492
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(Cl)cc1OCC1CNC(=O)O1
InChIInChI=1S/C11H12ClNO4/c1-15-9-3-2-7(12)4-10(9)16-6-8-5-13-11(14)17-8/h2-4,8H,5-6H2,1H3,(H,13,14)
InChIKeyQYBKHSGBXUGKOP-UHFFFAOYSA-N
XLogP1.84
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 21496492) is 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is COc1ccc(Cl)cc1OCC1CNC(=O)O1.
What is the InChIKey of 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is QYBKHSGBXUGKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c1-15-9-3-2-7(12)4-10(9)16-6-8-5-13-11(14)17-8/h2-4,8H,5-6H2,1H3,(H,13,14).
What are the key properties of 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 257.67 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-2-methoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 21496492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).