5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile

C12H6N2O2 — CID 116858958

IUPAC5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2coc3ccccc23)on1
InChIInChI=1S/C12H6N2O2/c13-6-8-5-12(16-14-8)10-7-15-11-4-2-1-3-9(10)11/h1-5,7H
InChIKeyQQXJXTPNSOBNCY-UHFFFAOYSA-N
MW210.19 g/mol
LogP2.96
Rot. Bonds1

About 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile

5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile (PubChem CID 116858958) has the molecular formula C12H6N2O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile.

Molecular Properties

Compound Name5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
PubChem CID116858958
Molecular FormulaC12H6N2O2
Molecular Weight210.19 g/mol
Exact Mass210.04
IUPAC Name5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile
SMILESN#Cc1cc(-c2coc3ccccc23)on1
InChIInChI=1S/C12H6N2O2/c13-6-8-5-12(16-14-8)10-7-15-11-4-2-1-3-9(10)11/h1-5,7H
InChIKeyQQXJXTPNSOBNCY-UHFFFAOYSA-N
XLogP2.96
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzofuran-3-yl)-1H-pyrazole-3-carbonitrile
CID 116858597
5-(1-benzofuran-3-yl)-4-bromo-1,2-oxazole-3-carbonitrile
CID 116859112
2-[4-(1-benzofuran-3-yl)-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 116865218
4-(1-benzofuran-3-yl)pyrimidine-2-carbonitrile
CID 116900914
5-(1-benzofuran-3-yl)-1H-imidazole-2-carbonitrile
CID 116879947
5-(1-benzofuran-3-yl)-1,3-dimethylpyrazole
CID 116856819
5-(2,3-dichloro-4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858945
[5-(1-benzofuran-3-yl)pyrimidin-2-yl]-methylcyanamide
CID 116977892
6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143279
3-(1-benzofuran-3-yl)-5-iodo-1,2,4-thiadiazole
CID 102618702
5-(5-ethyl-2-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 116858882
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile?
The IUPAC name of 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile (CID 116858958) is 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile.
What is the SMILES notation for 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile?
The canonical SMILES for 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile is N#Cc1cc(-c2coc3ccccc23)on1.
What is the InChIKey of 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile?
The InChIKey is QQXJXTPNSOBNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O2/c13-6-8-5-12(16-14-8)10-7-15-11-4-2-1-3-9(10)11/h1-5,7H.
What are the key properties of 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile?
5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile has a molecular weight of 210.19 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-3-yl)-1,2-oxazole-3-carbonitrile is sourced from PubChem (CID 116858958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).