5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile

C13H9N3O2 — CID 66009697

IUPAC5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2oc(-c3nc(C#N)c(N)o3)cc2c1
InChIInChI=1S/C13H9N3O2/c1-7-2-3-10-8(4-7)5-11(17-10)13-16-9(6-14)12(15)18-13/h2-5H,15H2,1H3
InChIKeyGSBPGLLNJIIZDB-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.85
Rot. Bonds1

About 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile

5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 66009697) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID66009697
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile
SMILESCc1ccc2oc(-c3nc(C#N)c(N)o3)cc2c1
InChIInChI=1S/C13H9N3O2/c1-7-2-3-10-8(4-7)5-11(17-10)13-16-9(6-14)12(15)18-13/h2-5H,15H2,1H3
InChIKeyGSBPGLLNJIIZDB-UHFFFAOYSA-N
XLogP2.85
TPSA88.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile (CID 66009697) is 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile is Cc1ccc2oc(-c3nc(C#N)c(N)o3)cc2c1.
What is the InChIKey of 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is GSBPGLLNJIIZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c1-7-2-3-10-8(4-7)5-11(17-10)13-16-9(6-14)12(15)18-13/h2-5H,15H2,1H3.
What are the key properties of 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile?
5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 239.23 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 66009697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).