1-benzofuran;oxadiazole;thiophene

C14H12N2O2S — CID 174866039

IUPAC1-benzofuran;oxadiazole;thiophene
SMILESc1ccc2occc2c1.c1ccsc1.c1conn1
InChIInChI=1S/C8H6O.C4H4S.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2-5-4-3-1/h1-6H;1-4H;1-2H
InChIKeyRFCIDFXUCNZGDG-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.25
Rot. Bonds

About 1-benzofuran;oxadiazole;thiophene

1-benzofuran;oxadiazole;thiophene (PubChem CID 174866039) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-benzofuran;oxadiazole;thiophene.

Molecular Properties

Compound Name1-benzofuran;oxadiazole;thiophene
PubChem CID174866039
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name1-benzofuran;oxadiazole;thiophene
SMILESc1ccc2occc2c1.c1ccsc1.c1conn1
InChIInChI=1S/C8H6O.C4H4S.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2-5-4-3-1/h1-6H;1-4H;1-2H
InChIKeyRFCIDFXUCNZGDG-UHFFFAOYSA-N
XLogP4.25
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;oxadiazole;thiophene?
The IUPAC name of 1-benzofuran;oxadiazole;thiophene (CID 174866039) is 1-benzofuran;oxadiazole;thiophene.
What is the SMILES notation for 1-benzofuran;oxadiazole;thiophene?
The canonical SMILES for 1-benzofuran;oxadiazole;thiophene is c1ccc2occc2c1.c1ccsc1.c1conn1.
What is the InChIKey of 1-benzofuran;oxadiazole;thiophene?
The InChIKey is RFCIDFXUCNZGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.C4H4S.C2H2N2O/c1-2-4-8-7(3-1)5-6-9-8;1-2-4-5-3-1;1-2-5-4-3-1/h1-6H;1-4H;1-2H.
What are the key properties of 1-benzofuran;oxadiazole;thiophene?
1-benzofuran;oxadiazole;thiophene has a molecular weight of 272.33 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;oxadiazole;thiophene is sourced from PubChem (CID 174866039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).