3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

C17H21N5O2 — CID 56780380

IUPAC3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCCN2Cc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C17H21N5O2/c1-13-8-18-22(9-13)10-15-4-2-3-6-21(15)11-16-19-17(20-24-16)14-5-7-23-12-14/h5,7-9,12,15H,2-4,6,10-11H2,1H3
InChIKeyVBPWPIDOTYSCLT-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.89
Rot. Bonds5

About 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 56780380) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID56780380
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cnn(CC2CCCCN2Cc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C17H21N5O2/c1-13-8-18-22(9-13)10-15-4-2-3-6-21(15)11-16-19-17(20-24-16)14-5-7-23-12-14/h5,7-9,12,15H,2-4,6,10-11H2,1H3
InChIKeyVBPWPIDOTYSCLT-UHFFFAOYSA-N
XLogP2.89
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95352806
3-(furan-3-yl)-5-[[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 56802734
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95333246
3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
5-(2-methylpropyl)-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609560
3-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 95345376
3-(furan-2-yl)-5-[[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326462
3-(furan-3-yl)-5-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95326732
5-(4-fluorophenyl)-2-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 95349673
2-methyl-3-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinoxaline
CID 95611660
2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56780480
[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 60684976

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 56780380) is 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cnn(CC2CCCCN2Cc2nc(-c3ccoc3)no2)c1.
What is the InChIKey of 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is VBPWPIDOTYSCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-8-18-22(9-13)10-15-4-2-3-6-21(15)11-16-19-17(20-24-16)14-5-7-23-12-14/h5,7-9,12,15H,2-4,6,10-11H2,1H3.
What are the key properties of 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 56780380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).