methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate

C11H16N2O3 — CID 178200025

IUPACmethyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2CCNCC2)nc1C
InChIInChI=1S/C11H16N2O3/c1-7-9(11(14)15-2)16-10(13-7)8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3
InChIKeyOPMHXHRMYKTSOO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.24
Rot. Bonds2

About methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate

methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate (PubChem CID 178200025) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
PubChem CID178200025
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1oc(C2CCNCC2)nc1C
InChIInChI=1S/C11H16N2O3/c1-7-9(11(14)15-2)16-10(13-7)8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3
InChIKeyOPMHXHRMYKTSOO-UHFFFAOYSA-N
XLogP1.24
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate 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 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate (CID 178200025) is methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate is COC(=O)c1oc(C2CCNCC2)nc1C.
What is the InChIKey of methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate?
The InChIKey is OPMHXHRMYKTSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-9(11(14)15-2)16-10(13-7)8-3-5-12-6-4-8/h8,12H,3-6H2,1-2H3.
What are the key properties of methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate?
methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-piperidin-4-yl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 178200025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).