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

C14H19N3O2 — CID 104797840

IUPAC3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCc1ccoc1-c1noc(CCC2CCCNC2)n1
InChIInChI=1S/C14H19N3O2/c1-10-6-8-18-13(10)14-16-12(19-17-14)5-4-11-3-2-7-15-9-11/h6,8,11,15H,2-5,7,9H2,1H3
InChIKeyMCXPVSCTNYOYCQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.57
Rot. Bonds4

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

3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (PubChem CID 104797840) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
PubChem CID104797840
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
SMILESCc1ccoc1-c1noc(CCC2CCCNC2)n1
InChIInChI=1S/C14H19N3O2/c1-10-6-8-18-13(10)14-16-12(19-17-14)5-4-11-3-2-7-15-9-11/h6,8,11,15H,2-5,7,9H2,1H3
InChIKeyMCXPVSCTNYOYCQ-UHFFFAOYSA-N
XLogP2.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methyl-3-pyridinyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 114876890
5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazol-3-amine
CID 65419210
5-(2-chloroethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797638
3-(3-bromo-4-methylphenyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 104880995
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
3-(methylsulfanylmethyl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 62691493
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047
3-(3-methylfuran-2-yl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900839
1-[[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 104797801
3-piperidin-1-yl-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole
CID 116807301
3-(3-ethyl-2-pyridinyl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 82737296
3-(3-fluoro-4-methylphenyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62689952

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole (CID 104797840) is 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is Cc1ccoc1-c1noc(CCC2CCCNC2)n1.
What is the InChIKey of 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
The InChIKey is MCXPVSCTNYOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-6-8-18-13(10)14-16-12(19-17-14)5-4-11-3-2-7-15-9-11/h6,8,11,15H,2-5,7,9H2,1H3.
What are the key properties of 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole?
3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole has a molecular weight of 261.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-yl)-5-(2-piperidin-3-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 104797840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).