5-(piperidin-4-yloxymethyl)-1,2-oxazole

C9H14N2O2 — CID 43346280

IUPAC5-(piperidin-4-yloxymethyl)-1,2-oxazole
SMILESc1cc(COC2CCNCC2)on1
InChIInChI=1S/C9H14N2O2/c1-4-10-5-2-8(1)12-7-9-3-6-11-13-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyODRZBFLMHQQELT-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.94
Rot. Bonds3

About 5-(piperidin-4-yloxymethyl)-1,2-oxazole

5-(piperidin-4-yloxymethyl)-1,2-oxazole (PubChem CID 43346280) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(piperidin-4-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(piperidin-4-yloxymethyl)-1,2-oxazole
PubChem CID43346280
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(piperidin-4-yloxymethyl)-1,2-oxazole
SMILESc1cc(COC2CCNCC2)on1
InChIInChI=1S/C9H14N2O2/c1-4-10-5-2-8(1)12-7-9-3-6-11-13-9/h3,6,8,10H,1-2,4-5,7H2
InChIKeyODRZBFLMHQQELT-UHFFFAOYSA-N
XLogP0.94
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-(piperidin-4-yloxymethyl)-1,2-oxazole (CID 43346280) is 5-(piperidin-4-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-(piperidin-4-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-(piperidin-4-yloxymethyl)-1,2-oxazole is c1cc(COC2CCNCC2)on1.
What is the InChIKey of 5-(piperidin-4-yloxymethyl)-1,2-oxazole?
The InChIKey is ODRZBFLMHQQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-10-5-2-8(1)12-7-9-3-6-11-13-9/h3,6,8,10H,1-2,4-5,7H2.
What are the key properties of 5-(piperidin-4-yloxymethyl)-1,2-oxazole?
5-(piperidin-4-yloxymethyl)-1,2-oxazole has a molecular weight of 182.22 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 43346280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).