5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

C13H17NO4 — CID 82087623

IUPAC5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(C)CN(C)C(=O)O2)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-13(8-14(2)12(15)18-13)10-6-5-9(16-3)7-11(10)17-4/h5-7H,8H2,1-4H3
InChIKeyYICRJBIVWKTLER-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.00
Rot. Bonds3

About 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one

5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 82087623) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID82087623
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C2(C)CN(C)C(=O)O2)c(OC)c1
InChIInChI=1S/C13H17NO4/c1-13(8-14(2)12(15)18-13)10-6-5-9(16-3)7-11(10)17-4/h5-7H,8H2,1-4H3
InChIKeyYICRJBIVWKTLER-UHFFFAOYSA-N
XLogP2.00
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one (CID 82087623) is 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is COc1ccc(C2(C)CN(C)C(=O)O2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is YICRJBIVWKTLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(8-14(2)12(15)18-13)10-6-5-9(16-3)7-11(10)17-4/h5-7H,8H2,1-4H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one?
5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 251.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-3,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 82087623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).