5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride

C11H13ClN2O3 — CID 3056416

IUPAC5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCC1OC(=O)N(CCc2ccncc2)C1=O.Cl
InChIInChI=1S/C11H12N2O3.ClH/c1-8-10(14)13(11(15)16-8)7-4-9-2-5-12-6-3-9;/h2-3,5-6,8H,4,7H2,1H3;1H
InChIKeyMYTQXDWJQSVSPC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.41
Rot. Bonds3

About 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride

5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 3056416) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID3056416
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCC1OC(=O)N(CCc2ccncc2)C1=O.Cl
InChIInChI=1S/C11H12N2O3.ClH/c1-8-10(14)13(11(15)16-8)7-4-9-2-5-12-6-3-9;/h2-3,5-6,8H,4,7H2,1H3;1H
InChIKeyMYTQXDWJQSVSPC-UHFFFAOYSA-N
XLogP1.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride (CID 3056416) is 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride is CC1OC(=O)N(CCc2ccncc2)C1=O.Cl.
What is the InChIKey of 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is MYTQXDWJQSVSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.ClH/c1-8-10(14)13(11(15)16-8)7-4-9-2-5-12-6-3-9;/h2-3,5-6,8H,4,7H2,1H3;1H.
What are the key properties of 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-pyridin-4-ylethyl)-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 3056416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).