5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole

C9H15N3O — CID 59404833

IUPAC5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(C)CC2)no1
InChIInChI=1S/C9H15N3O/c1-7-10-9(11-13-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyJJOXIDCNUSKVJA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.19
Rot. Bonds1

About 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole

5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 59404833) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID59404833
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCc1nc(C2CCN(C)CC2)no1
InChIInChI=1S/C9H15N3O/c1-7-10-9(11-13-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3
InChIKeyJJOXIDCNUSKVJA-UHFFFAOYSA-N
XLogP1.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 59404833) is 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole is Cc1nc(C2CCN(C)CC2)no1.
What is the InChIKey of 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JJOXIDCNUSKVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-9(11-13-7)8-3-5-12(2)6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole?
5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 59404833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).