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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Related Compounds

[2-[2-(1-methylpiperidin-4-yl)ethoxy]-4-pyridinyl]methanamine
CID 66689440
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(5-methyl-1,2-oxazol-3-yl)oxy]ethanone
CID 113340535
1-methyl-4-[2-(3-methylphenoxy)ethyl]piperidine
CID 58946190
5-chloro-6-[2-(1-methylpiperidin-4-yl)ethoxy]pyridin-3-amine
CID 134208918
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
4-ethyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-2-carboxylic acid
CID 114427323
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
CID 65070599
4-(2-butoxyethyl)-1-methylpiperidine
CID 23544400
2-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]piperidine-4-carboxylic acid
CID 106741827
2-[6-[2-(1-methylpiperidin-4-yl)ethoxy]-3,4-dihydro-2H-chromen-2-yl]acetic acid
CID 59079892
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557

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).