3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

C18H21N5O — CID 133482995

IUPAC3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1nccn1C1CCCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H21N5O/c1-2-16-19-10-12-23(16)15-9-6-11-22(13-15)18-20-17(24-21-18)14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,2,6,9,11,13H2,1H3
InChIKeyXOYIPMZLTVIPQT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.34
Rot. Bonds4

About 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole

3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 133482995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID133482995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESCCc1nccn1C1CCCN(c2noc(-c3ccccc3)n2)C1
InChIInChI=1S/C18H21N5O/c1-2-16-19-10-12-23(16)15-9-6-11-22(13-15)18-20-17(24-21-18)14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,2,6,9,11,13H2,1H3
InChIKeyXOYIPMZLTVIPQT-UHFFFAOYSA-N
XLogP3.34
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482657
2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]propanamide
CID 133482694
3-(3-fluorophenyl)-5-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 133482714
4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 167865024
[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-phenylfuran-2-yl)methanone
CID 95978611
4-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 124883297
4-ethyl-6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-pyridin-4-ylpyrimidine
CID 133295037
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
[4-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-pyridinyl]methanol
CID 136568930
3-[(2-ethylimidazol-1-yl)methyl]-5-phenyl-1,2,4-oxadiazole
CID 53193142
5-phenyl-3-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-1,2,4-oxadiazole
CID 133483568

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole (CID 133482995) is 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is CCc1nccn1C1CCCN(c2noc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is XOYIPMZLTVIPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-2-16-19-10-12-23(16)15-9-6-11-22(13-15)18-20-17(24-21-18)14-7-4-3-5-8-14/h3-5,7-8,10,12,15H,2,6,9,11,13H2,1H3.
What are the key properties of 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole?
3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 323.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133482995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).