4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one

C20H21NO4 — CID 71376032

IUPAC4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCN2C(=O)OCC2=Cc2ccccc2)cc1OC
InChIInChI=1S/C20H21NO4/c1-23-18-9-8-16(13-19(18)24-2)10-11-21-17(14-25-20(21)22)12-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyHLBCIDRBMFCELC-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.74
Rot. Bonds6

About 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one

4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 71376032) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
PubChem CID71376032
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCN2C(=O)OCC2=Cc2ccccc2)cc1OC
InChIInChI=1S/C20H21NO4/c1-23-18-9-8-16(13-19(18)24-2)10-11-21-17(14-25-20(21)22)12-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3
InChIKeyHLBCIDRBMFCELC-UHFFFAOYSA-N
XLogP3.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one (CID 71376032) is 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one is COc1ccc(CCN2C(=O)OCC2=Cc2ccccc2)cc1OC.
What is the InChIKey of 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is HLBCIDRBMFCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-23-18-9-8-16(13-19(18)24-2)10-11-21-17(14-25-20(21)22)12-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3.
What are the key properties of 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one?
4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-3-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71376032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).