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

C16H14FN3O3 — CID 136564164

IUPAC(7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCCN2C(=O)c2ccc(F)c3occc23)no1
InChIInChI=1S/C16H14FN3O3/c1-9-18-15(19-23-9)13-3-2-7-20(13)16(21)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyNWHGEDQHUNHVSM-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.24
Rot. Bonds2

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

(7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 136564164) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID136564164
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name(7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc(C2CCCN2C(=O)c2ccc(F)c3occc23)no1
InChIInChI=1S/C16H14FN3O3/c1-9-18-15(19-23-9)13-3-2-7-20(13)16(21)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3
InChIKeyNWHGEDQHUNHVSM-UHFFFAOYSA-N
XLogP3.24
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone (CID 136564164) is (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is Cc1nc(C2CCCN2C(=O)c2ccc(F)c3occc23)no1.
What is the InChIKey of (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NWHGEDQHUNHVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-9-18-15(19-23-9)13-3-2-7-20(13)16(21)11-4-5-12(17)14-10(11)6-8-22-14/h4-6,8,13H,2-3,7H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone?
(7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 315.30 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-4-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136564164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).