4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride

C9H13ClN2O — CID 117228645

IUPAC4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(c2ccncc2)N1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-5,7,9,11H,6H2,1H3;1H
InChIKeyWNWKKFZWHSZPIM-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.51
Rot. Bonds1

About 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride

4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride (PubChem CID 117228645) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride
PubChem CID117228645
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(c2ccncc2)N1.Cl
InChIInChI=1S/C9H12N2O.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-5,7,9,11H,6H2,1H3;1H
InChIKeyWNWKKFZWHSZPIM-UHFFFAOYSA-N
XLogP1.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride 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 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride (CID 117228645) is 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride is CC1COC(c2ccncc2)N1.Cl.
What is the InChIKey of 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride?
The InChIKey is WNWKKFZWHSZPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c1-7-6-12-9(11-7)8-2-4-10-5-3-8;/h2-5,7,9,11H,6H2,1H3;1H.
What are the key properties of 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride?
4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-4-yl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).