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

C23H20FN3O4 — CID 121069285

IUPAC[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCCC(c4nnc(-c5ccc(F)cc5)o4)C3)oc12
InChIInChI=1S/C23H20FN3O4/c1-29-18-6-2-4-15-12-19(30-20(15)18)23(28)27-11-3-5-16(13-27)22-26-25-21(31-22)14-7-9-17(24)10-8-14/h2,4,6-10,12,16H,3,5,11,13H2,1H3
InChIKeyIKVBYFXXZLXTKW-UHFFFAOYSA-N
MW421.43 g/mol
LogP4.65
Rot. Bonds4

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

[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (PubChem CID 121069285) has the molecular formula C23H20FN3O4 and a molecular weight of 421.43 g/mol. Its IUPAC name is [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
PubChem CID121069285
Molecular FormulaC23H20FN3O4
Molecular Weight421.43 g/mol
Exact Mass421.14
IUPAC Name[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone
SMILESCOc1cccc2cc(C(=O)N3CCCC(c4nnc(-c5ccc(F)cc5)o4)C3)oc12
InChIInChI=1S/C23H20FN3O4/c1-29-18-6-2-4-15-12-19(30-20(15)18)23(28)27-11-3-5-16(13-27)22-26-25-21(31-22)14-7-9-17(24)10-8-14/h2,4,6-10,12,16H,3,5,11,13H2,1H3
InChIKeyIKVBYFXXZLXTKW-UHFFFAOYSA-N
XLogP4.65
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The IUPAC name of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone (CID 121069285) is [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The canonical SMILES for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is COc1cccc2cc(C(=O)N3CCCC(c4nnc(-c5ccc(F)cc5)o4)C3)oc12.
What is the InChIKey of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
The InChIKey is IKVBYFXXZLXTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4/c1-29-18-6-2-4-15-12-19(30-20(15)18)23(28)27-11-3-5-16(13-27)22-26-25-21(31-22)14-7-9-17(24)10-8-14/h2,4,6-10,12,16H,3,5,11,13H2,1H3.
What are the key properties of [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone?
[3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone has a molecular weight of 421.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 121069285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).