5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole

C12H20N2O2 — CID 178018950

IUPAC5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole
SMILESCc1cc(OCCC2CCN(C)CC2)no1
InChIInChI=1S/C12H20N2O2/c1-10-9-12(13-16-10)15-8-5-11-3-6-14(2)7-4-11/h9,11H,3-8H2,1-2H3
InChIKeyLRPFWXYXJJFSBO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.09
Rot. Bonds4

About 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole

5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole (PubChem CID 178018950) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole
PubChem CID178018950
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole
SMILESCc1cc(OCCC2CCN(C)CC2)no1
InChIInChI=1S/C12H20N2O2/c1-10-9-12(13-16-10)15-8-5-11-3-6-14(2)7-4-11/h9,11H,3-8H2,1-2H3
InChIKeyLRPFWXYXJJFSBO-UHFFFAOYSA-N
XLogP2.09
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.09
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-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole (CID 178018950) is 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole is Cc1cc(OCCC2CCN(C)CC2)no1.
What is the InChIKey of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole?
The InChIKey is LRPFWXYXJJFSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-9-12(13-16-10)15-8-5-11-3-6-14(2)7-4-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole?
5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole has a molecular weight of 224.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1-methylpiperidin-4-yl)ethoxy]-1,2-oxazole is sourced from PubChem (CID 178018950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).