3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

C19H20ClNO4 — CID 3061366

IUPAC3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(OCCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H20ClNO4/c1-23-13-18-12-21(19(22)25-18)16-5-7-17(8-6-16)24-10-9-14-3-2-4-15(20)11-14/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyUJJQITPMXKBFPK-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.93
Rot. Bonds7

About 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one

3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 3061366) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
PubChem CID3061366
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one
SMILESCOCC1CN(c2ccc(OCCc3cccc(Cl)c3)cc2)C(=O)O1
InChIInChI=1S/C19H20ClNO4/c1-23-13-18-12-21(19(22)25-18)16-5-7-17(8-6-16)24-10-9-14-3-2-4-15(20)11-14/h2-8,11,18H,9-10,12-13H2,1H3
InChIKeyUJJQITPMXKBFPK-UHFFFAOYSA-N
XLogP3.93
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one (CID 3061366) is 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is COCC1CN(c2ccc(OCCc3cccc(Cl)c3)cc2)C(=O)O1.
What is the InChIKey of 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is UJJQITPMXKBFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-23-13-18-12-21(19(22)25-18)16-5-7-17(8-6-16)24-10-9-14-3-2-4-15(20)11-14/h2-8,11,18H,9-10,12-13H2,1H3.
What are the key properties of 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one?
3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 361.83 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-chlorophenyl)ethoxy]phenyl]-5-(methoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).