3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride

C19H20Cl2N2O2 — CID 6448231

IUPAC3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCNCC1CN(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C(=O)O1.Cl
InChIInChI=1S/C19H19ClN2O2.ClH/c1-21-12-18-13-22(19(23)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15;/h2-11,18,21H,12-13H2,1H3;1H/b6-5+;
InChIKeyXLXNDJURNMVXLU-IPZCTEOASA-N
MW379.29 g/mol
LogP4.48
Rot. Bonds5

About 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride

3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 6448231) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
PubChem CID6448231
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC Name3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride
SMILESCNCC1CN(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C(=O)O1.Cl
InChIInChI=1S/C19H19ClN2O2.ClH/c1-21-12-18-13-22(19(23)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15;/h2-11,18,21H,12-13H2,1H3;1H/b6-5+;
InChIKeyXLXNDJURNMVXLU-IPZCTEOASA-N
XLogP4.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride (CID 6448231) is 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride is CNCC1CN(c2ccc(/C=C/c3cccc(Cl)c3)cc2)C(=O)O1.Cl.
What is the InChIKey of 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
The InChIKey is XLXNDJURNMVXLU-IPZCTEOASA-N. The full InChI is InChI=1S/C19H19ClN2O2.ClH/c1-21-12-18-13-22(19(23)24-18)17-9-7-14(8-10-17)5-6-15-3-2-4-16(20)11-15;/h2-11,18,21H,12-13H2,1H3;1H/b6-5+;.
What are the key properties of 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride?
3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 379.29 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(E)-2-(3-chlorophenyl)ethenyl]phenyl]-5-(methylaminomethyl)-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 6448231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).