2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone

C15H14FN5O2 — CID 167770762

IUPAC2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1coc2cc(F)ccc12)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C15H14FN5O2/c16-10-3-4-11-9(8-23-13(11)7-10)6-14(22)21-5-1-2-12(21)15-17-19-20-18-15/h3-4,7-8,12H,1-2,5-6H2,(H,17,18,19,20)
InChIKeyVCXTXSAXTZUVKP-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.99
Rot. Bonds3

About 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone

2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 167770762) has the molecular formula C15H14FN5O2 and a molecular weight of 315.31 g/mol. Its IUPAC name is 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID167770762
Molecular FormulaC15H14FN5O2
Molecular Weight315.31 g/mol
Exact Mass315.11
IUPAC Name2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1coc2cc(F)ccc12)N1CCCC1c1nn[nH]n1
InChIInChI=1S/C15H14FN5O2/c16-10-3-4-11-9(8-23-13(11)7-10)6-14(22)21-5-1-2-12(21)15-17-19-20-18-15/h3-4,7-8,12H,1-2,5-6H2,(H,17,18,19,20)
InChIKeyVCXTXSAXTZUVKP-UHFFFAOYSA-N
XLogP1.99
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-1-benzofuran-3-yl)-1-[(2R)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 124957195
[3-(4-fluorophenyl)cyclobutyl]-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
CID 166253108
2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120733108
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 124970536
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 112766874
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 146142957
1-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43239499
2-(2-chloro-4-fluorophenyl)-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethanone
CID 77091112
1-[(2R)-2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 92560333
2-(5-fluoro-1-benzofuran-3-yl)-1-piperidin-1-ylethanone
CID 110488716
2-(6-methyl-1-benzofuran-3-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 18872264
1-(4-aminopiperidin-1-yl)-2-(5-fluoro-1-benzofuran-3-yl)ethanone
CID 110488719

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 167770762) is 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1coc2cc(F)ccc12)N1CCCC1c1nn[nH]n1.
What is the InChIKey of 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is VCXTXSAXTZUVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O2/c16-10-3-4-11-9(8-23-13(11)7-10)6-14(22)21-5-1-2-12(21)15-17-19-20-18-15/h3-4,7-8,12H,1-2,5-6H2,(H,17,18,19,20).
What are the key properties of 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 315.31 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-benzofuran-3-yl)-1-[2-(2H-tetrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 167770762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).