methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate

C11H16N2O3 — CID 163373999

IUPACmethyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(C2CCNCC2)no1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)7-9-6-10(13-16-9)8-2-4-12-5-3-8/h6,8,12H,2-5,7H2,1H3
InChIKeyZPXTYXGGMMWSMR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.86
Rot. Bonds3

About methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate

methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate (PubChem CID 163373999) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
PubChem CID163373999
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
SMILESCOC(=O)Cc1cc(C2CCNCC2)no1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)7-9-6-10(13-16-9)8-2-4-12-5-3-8/h6,8,12H,2-5,7H2,1H3
InChIKeyZPXTYXGGMMWSMR-UHFFFAOYSA-N
XLogP0.86
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate (CID 163373999) is methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate is COC(=O)Cc1cc(C2CCNCC2)no1.
What is the InChIKey of methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate?
The InChIKey is ZPXTYXGGMMWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-11(14)7-9-6-10(13-16-9)8-2-4-12-5-3-8/h6,8,12H,2-5,7H2,1H3.
What are the key properties of methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate?
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate is sourced from PubChem (CID 163373999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).