ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole

C10H19N3O — CID 91027170

IUPACethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC.Cc1nc(C2CCNCC2)no1
InChIInChI=1S/C8H13N3O.C2H6/c1-6-10-8(11-12-6)7-2-4-9-5-3-7;1-2/h7,9H,2-5H2,1H3;1-2H3
InChIKeyKTTRUNVWVJVAET-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.87
Rot. Bonds1

About ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole

ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 91027170) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Nameethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID91027170
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Nameethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESCC.Cc1nc(C2CCNCC2)no1
InChIInChI=1S/C8H13N3O.C2H6/c1-6-10-8(11-12-6)7-2-4-9-5-3-7;1-2/h7,9H,2-5H2,1H3;1-2H3
InChIKeyKTTRUNVWVJVAET-UHFFFAOYSA-N
XLogP1.87
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole (CID 91027170) is ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole is CC.Cc1nc(C2CCNCC2)no1.
What is the InChIKey of ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is KTTRUNVWVJVAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.C2H6/c1-6-10-8(11-12-6)7-2-4-9-5-3-7;1-2/h7,9H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole?
ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 197.28 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91027170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).