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

C17H16FN3O4 — CID 136565461

IUPAC[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
SMILESCCc1noc(COC2CN(C(=O)c3ccc(F)c4occc34)C2)n1
InChIInChI=1S/C17H16FN3O4/c1-2-14-19-15(25-20-14)9-24-10-7-21(8-10)17(22)12-3-4-13(18)16-11(12)5-6-23-16/h3-6,10H,2,7-9H2,1H3
InChIKeyALQIDBMDUYESPB-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.56
Rot. Bonds5

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

[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone (PubChem CID 136565461) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone.

Molecular Properties

Compound Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
PubChem CID136565461
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone
SMILESCCc1noc(COC2CN(C(=O)c3ccc(F)c4occc34)C2)n1
InChIInChI=1S/C17H16FN3O4/c1-2-14-19-15(25-20-14)9-24-10-7-21(8-10)17(22)12-3-4-13(18)16-11(12)5-6-23-16/h3-6,10H,2,7-9H2,1H3
InChIKeyALQIDBMDUYESPB-UHFFFAOYSA-N
XLogP2.56
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The IUPAC name of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone (CID 136565461) is [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone.
What is the SMILES notation for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The canonical SMILES for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone is CCc1noc(COC2CN(C(=O)c3ccc(F)c4occc34)C2)n1.
What is the InChIKey of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
The InChIKey is ALQIDBMDUYESPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-2-14-19-15(25-20-14)9-24-10-7-21(8-10)17(22)12-3-4-13(18)16-11(12)5-6-23-16/h3-6,10H,2,7-9H2,1H3.
What are the key properties of [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone?
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone has a molecular weight of 345.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]azetidin-1-yl]-(7-fluoro-1-benzofuran-4-yl)methanone is sourced from PubChem (CID 136565461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).