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

C17H21N5O2 — CID 91842285

IUPAC3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nccn1CC1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H21N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(20-24-16)15-3-2-10-23-15/h2-3,6,9-10,14H,4-5,7-8,11-12H2,1H3
InChIKeyUKMSQNGDLVUXQT-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.75
Rot. Bonds5

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

3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 91842285) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID91842285
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nccn1CC1CCN(Cc2nc(-c3ccco3)no2)CC1
InChIInChI=1S/C17H21N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(20-24-16)15-3-2-10-23-15/h2-3,6,9-10,14H,4-5,7-8,11-12H2,1H3
InChIKeyUKMSQNGDLVUXQT-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 91842285) is 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nccn1CC1CCN(Cc2nc(-c3ccco3)no2)CC1.
What is the InChIKey of 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is UKMSQNGDLVUXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-18-6-9-22(13)11-14-4-7-21(8-5-14)12-16-19-17(20-24-16)15-3-2-10-23-15/h2-3,6,9-10,14H,4-5,7-8,11-12H2,1H3.
What are the key properties of 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 91842285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).