5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C15H9N3O2S — CID 106526435

IUPAC5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3Cc4ccccc4O3)no2)s1
InChIInChI=1S/C15H9N3O2S/c16-8-10-5-6-13(21-10)15-17-14(18-20-15)12-7-9-3-1-2-4-11(9)19-12/h1-6,12H,7H2
InChIKeyPAAQUAVRHOXMGB-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.35
Rot. Bonds2

About 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 106526435) has the molecular formula C15H9N3O2S and a molecular weight of 295.32 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID106526435
Molecular FormulaC15H9N3O2S
Molecular Weight295.32 g/mol
Exact Mass295.04
IUPAC Name5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3Cc4ccccc4O3)no2)s1
InChIInChI=1S/C15H9N3O2S/c16-8-10-5-6-13(21-10)15-17-14(18-20-15)12-7-9-3-1-2-4-11(9)19-12/h1-6,12H,7H2
InChIKeyPAAQUAVRHOXMGB-UHFFFAOYSA-N
XLogP3.35
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106524981
3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912019
5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734590
(1R)-1-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565525
3-(2,3-dihydro-1-benzofuran-2-yl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915114
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503
5-(3-butyl-1,2,4-oxadiazol-5-yl)thiophene-2-carbonitrile
CID 103734562
5-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 106525170
2-(2,3-dihydro-1-benzofuran-2-yl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 174712271
5-[3-(3,4-dihydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 136889611
5-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104676908
5-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
CID 104677138

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 106526435) is 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2nc(C3Cc4ccccc4O3)no2)s1.
What is the InChIKey of 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is PAAQUAVRHOXMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2S/c16-8-10-5-6-13(21-10)15-17-14(18-20-15)12-7-9-3-1-2-4-11(9)19-12/h1-6,12H,7H2.
What are the key properties of 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 106526435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).