[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone

C18H18FN3O3 — CID 136563953

IUPAC[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
SMILESCCc1nc(C2CCCCN2C(=O)c2ccc(F)c3occc23)no1
InChIInChI=1S/C18H18FN3O3/c1-2-15-20-17(21-25-15)14-5-3-4-9-22(14)18(23)12-6-7-13(19)16-11(12)8-10-24-16/h6-8,10,14H,2-5,9H2,1H3
InChIKeyFWJVOAFBVBMCHH-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.88
Rot. Bonds3

About [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone

[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone (PubChem CID 136563953) has the molecular formula C18H18FN3O3 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]-(7-fluoro-1-benzofuran-4-yl)methanone.

Molecular Properties

Compound Name[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
PubChem CID136563953
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
SMILESCCc1nc(C2CCCCN2C(=O)c2ccc(F)c3occc23)no1
InChIInChI=1S/C18H18FN3O3/c1-2-15-20-17(21-25-15)14-5-3-4-9-22(14)18(23)12-6-7-13(19)16-11(12)8-10-24-16/h6-8,10,14H,2-5,9H2,1H3
InChIKeyFWJVOAFBVBMCHH-UHFFFAOYSA-N
XLogP3.88
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The IUPAC name of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone (CID 136563953) is [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone.
What is the SMILES notation for [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The canonical SMILES for [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone is CCc1nc(C2CCCCN2C(=O)c2ccc(F)c3occc23)no1.
What is the InChIKey of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The InChIKey is FWJVOAFBVBMCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-2-15-20-17(21-25-15)14-5-3-4-9-22(14)18(23)12-6-7-13(19)16-11(12)8-10-24-16/h6-8,10,14H,2-5,9H2,1H3.
What are the key properties of [2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
[2-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone has a molecular weight of 343.36 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 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]-(7-fluoro-1-benzofuran-4-yl)methanone is sourced from PubChem (CID 136563953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).