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

C14H19N3O2 — CID 65152538

IUPAC3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1oc(C)c(-c2nc(C3CCNCC3)no2)c1C
InChIInChI=1S/C14H19N3O2/c1-8-9(2)18-10(3)12(8)14-16-13(17-19-14)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3
InChIKeyRAANJKPGNUMZDF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.72
Rot. Bonds2

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

3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 65152538) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID65152538
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1oc(C)c(-c2nc(C3CCNCC3)no2)c1C
InChIInChI=1S/C14H19N3O2/c1-8-9(2)18-10(3)12(8)14-16-13(17-19-14)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3
InChIKeyRAANJKPGNUMZDF-UHFFFAOYSA-N
XLogP2.72
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-2-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152589
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
CID 65152492
5-(4-methoxyphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63015385
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
5-(4-phenylphenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 59657751
3-piperidin-4-yl-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 55150898
3-piperidin-4-yl-5-(4-propan-2-ylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65205754
2-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)furo[2,3-c]pyridine
CID 141186122
5-(4,5-dibromothiophen-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 80538814

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole (CID 65152538) is 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole is Cc1oc(C)c(-c2nc(C3CCNCC3)no2)c1C.
What is the InChIKey of 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is RAANJKPGNUMZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8-9(2)18-10(3)12(8)14-16-13(17-19-14)11-4-6-15-7-5-11/h11,15H,4-7H2,1-3H3.
What are the key properties of 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65152538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).