methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride

C8H11ClN2O3 — CID 129052618

IUPACmethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(C2CNC2)n1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;/h4-5,9H,2-3H2,1H3;1H
InChIKeyAEZWLUGYHBEWCP-UHFFFAOYSA-N
MW218.64 g/mol
LogP0.57
Rot. Bonds2

About methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride

methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride (PubChem CID 129052618) has the molecular formula C8H11ClN2O3 and a molecular weight of 218.64 g/mol. Its IUPAC name is methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride
PubChem CID129052618
Molecular FormulaC8H11ClN2O3
Molecular Weight218.64 g/mol
Exact Mass218.05
IUPAC Namemethyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride
SMILESCOC(=O)c1coc(C2CNC2)n1.Cl
InChIInChI=1S/C8H10N2O3.ClH/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;/h4-5,9H,2-3H2,1H3;1H
InChIKeyAEZWLUGYHBEWCP-UHFFFAOYSA-N
XLogP0.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.64
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;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 methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride (CID 129052618) is methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride is COC(=O)c1coc(C2CNC2)n1.Cl.
What is the InChIKey of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride?
The InChIKey is AEZWLUGYHBEWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.ClH/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5;/h4-5,9H,2-3H2,1H3;1H.
What are the key properties of methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride?
methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride has a molecular weight of 218.64 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 129052618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).