5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole

C9H15N3O2 — CID 63027160

IUPAC5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCCNC2)no1
InChIInChI=1S/C9H15N3O2/c1-13-6-8-11-9(12-14-8)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyJKNOEEYGNFRJNR-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.68
Rot. Bonds3

About 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole

5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 63027160) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID63027160
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole
SMILESCOCc1nc(C2CCCNC2)no1
InChIInChI=1S/C9H15N3O2/c1-13-6-8-11-9(12-14-8)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3
InChIKeyJKNOEEYGNFRJNR-UHFFFAOYSA-N
XLogP0.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole (CID 63027160) is 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole is COCc1nc(C2CCCNC2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JKNOEEYGNFRJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-6-8-11-9(12-14-8)7-3-2-4-10-5-7/h7,10H,2-6H2,1H3.
What are the key properties of 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole?
5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 197.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63027160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).