[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

C17H18FN5O2 — CID 139002837

IUPAC[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1nc(C2CCCCN2C(=O)c2cc(F)cc3[nH]cnc23)no1
InChIInChI=1S/C17H18FN5O2/c1-2-14-21-16(22-25-14)13-5-3-4-6-23(13)17(24)11-7-10(18)8-12-15(11)20-9-19-12/h7-9,13H,2-6H2,1H3,(H,19,20)
InChIKeyXWJCJVNQOXYKNP-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.01
Rot. Bonds3

About [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone

[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (PubChem CID 139002837) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
PubChem CID139002837
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
SMILESCCc1nc(C2CCCCN2C(=O)c2cc(F)cc3[nH]cnc23)no1
InChIInChI=1S/C17H18FN5O2/c1-2-14-21-16(22-25-14)13-5-3-4-6-23(13)17(24)11-7-10(18)8-12-15(11)20-9-19-12/h7-9,13H,2-6H2,1H3,(H,19,20)
InChIKeyXWJCJVNQOXYKNP-UHFFFAOYSA-N
XLogP3.01
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 136526441
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95779324
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427532
(6-fluoro-1H-benzimidazol-4-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427531
[2-(4-ethylphenyl)piperazin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 120740593
(6-fluoro-1H-benzimidazol-4-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95354406
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 71892501
(7-chloro-1,3-benzodioxol-5-yl)-[(2R)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779437
(6-fluoro-1H-benzimidazol-4-yl)-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 127956026
[2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91909905
(5S)-5-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 96511071
(5-fluoro-1-benzofuran-7-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 136564169

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The IUPAC name of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone (CID 139002837) is [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The canonical SMILES for [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is CCc1nc(C2CCCCN2C(=O)c2cc(F)cc3[nH]cnc23)no1.
What is the InChIKey of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
The InChIKey is XWJCJVNQOXYKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-2-14-21-16(22-25-14)13-5-3-4-6-23(13)17(24)11-7-10(18)8-12-15(11)20-9-19-12/h7-9,13H,2-6H2,1H3,(H,19,20).
What are the key properties of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone?
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone has a molecular weight of 343.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone is sourced from PubChem (CID 139002837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).