5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole

C18H17FN2O3 — CID 176584900

IUPAC5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c2ccoc12
InChIInChI=1S/C18H17FN2O3/c19-14-3-2-13(12-5-8-22-15(12)14)17-20-16(21-24-17)11-4-9-23-18(10-11)6-1-7-18/h2-3,5,8,11H,1,4,6-7,9-10H2/t11-/m0/s1
InChIKeyYJCOXPCGRVZOLH-NSHDSACASA-N
MW328.34 g/mol
LogP4.44
Rot. Bonds2

About 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole

5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole (PubChem CID 176584900) has the molecular formula C18H17FN2O3 and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
PubChem CID176584900
Molecular FormulaC18H17FN2O3
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC Name5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c2ccoc12
InChIInChI=1S/C18H17FN2O3/c19-14-3-2-13(12-5-8-22-15(12)14)17-20-16(21-24-17)11-4-9-23-18(10-11)6-1-7-18/h2-3,5,8,11H,1,4,6-7,9-10H2/t11-/m0/s1
InChIKeyYJCOXPCGRVZOLH-NSHDSACASA-N
XLogP4.44
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole (CID 176584900) is 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole is Fc1ccc(-c2nc([C@H]3CCOC4(CCC4)C3)no2)c2ccoc12.
What is the InChIKey of 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole?
The InChIKey is YJCOXPCGRVZOLH-NSHDSACASA-N. The full InChI is InChI=1S/C18H17FN2O3/c19-14-3-2-13(12-5-8-22-15(12)14)17-20-16(21-24-17)11-4-9-23-18(10-11)6-1-7-18/h2-3,5,8,11H,1,4,6-7,9-10H2/t11-/m0/s1.
What are the key properties of 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole?
5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole has a molecular weight of 328.34 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-1-benzofuran-4-yl)-3-[(8S)-5-oxaspiro[3.5]nonan-8-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 176584900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).