5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole

C34H19N3O2S2 — CID 141128669

IUPAC5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4ncc[nH]4)cc4oc(-c5cc6ccccc6s5)nc4c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C34H19N3O2S2/c1-4-10-23-19(7-1)15-24(38-23)30-22(33-35-13-14-36-33)18-25-32(31(30)28-16-20-8-2-5-11-26(20)40-28)37-34(39-25)29-17-21-9-3-6-12-27(21)41-29/h1-18H,(H,35,36)
InChIKeyYEWVTDMPUOKYNA-UHFFFAOYSA-N
MW565.68 g/mol
LogP10.39
Rot. Bonds4

About 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole

5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole (PubChem CID 141128669) has the molecular formula C34H19N3O2S2 and a molecular weight of 565.68 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole
PubChem CID141128669
Molecular FormulaC34H19N3O2S2
Molecular Weight565.68 g/mol
Exact Mass565.09
IUPAC Name5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole
SMILESc1ccc2oc(-c3c(-c4ncc[nH]4)cc4oc(-c5cc6ccccc6s5)nc4c3-c3cc4ccccc4s3)cc2c1
InChIInChI=1S/C34H19N3O2S2/c1-4-10-23-19(7-1)15-24(38-23)30-22(33-35-13-14-36-33)18-25-32(31(30)28-16-20-8-2-5-11-26(20)40-28)37-34(39-25)29-17-21-9-3-6-12-27(21)41-29/h1-18H,(H,35,36)
InChIKeyYEWVTDMPUOKYNA-UHFFFAOYSA-N
XLogP10.39
TPSA67.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.68
LogP ≤ 510.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(1-benzofuran-2-yl)-7-(2-benzofuran-1-yl)-4-(1-benzothiophen-2-yl)-6-(2H-isoindol-1-yl)-2-benzothiophen-5-yl]-1H-benzimidazole
CID 53825994
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836
2-[2-(1-benzothiophen-2-yl)-7-(1H-imidazol-2-yl)-3-naphthalen-1-yl-6-pyrazin-2-yl-4-(1,3-thiazol-2-yl)-1-benzofuran-5-yl]-1,3-oxazole
CID 140973248
2-[6-(1-benzofuran-2-yl)-7-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-1H-benzimidazol-2-yl]-1,3-benzoxazole
CID 140991667
4-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-2-(1,3-benzothiazol-2-yl)-5-(1-benzothiophen-2-yl)-1,3-benzoxazole
CID 141050981
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)-7-(triazin-4-yl)-1,3-benzoxazole
CID 141085177
2-[2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-3-(2H-thiochromen-2-yl)phenyl]-1,3-benzoxazole
CID 141102858
2-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1,3-benzothiazol-2-yl)-7-(1H-imidazol-2-yl)-6-(1,3-oxazol-2-yl)-2-(1,3-thiazol-2-yl)-3H-1,3-benzoxazole
CID 141195189
2-[5-(1H-benzimidazol-2-yl)-2-(1-benzothiophen-2-yl)-4-isoquinolin-1-yl-6-(1H-pyrrol-2-yl)-3-quinolin-2-ylphenyl]-1,3-benzoxazole
CID 141203115
1-[2-(1-benzofuran-2-yl)-5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-1-benzothiophen-3-yl]-2H-isoindole
CID 141307334
5-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)-4-imidazo[1,2-a]pyridin-2-yl-6-(3H-indol-2-yl)-1,3-benzoxazole
CID 141412473
2-[2-(1H-benzimidazol-2-yl)-6-(1-benzothiophen-2-yl)phenyl]-1,3-benzoxazole
CID 141416468

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole?
The IUPAC name of 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole (CID 141128669) is 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole?
The canonical SMILES for 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole is c1ccc2oc(-c3c(-c4ncc[nH]4)cc4oc(-c5cc6ccccc6s5)nc4c3-c3cc4ccccc4s3)cc2c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole?
The InChIKey is YEWVTDMPUOKYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19N3O2S2/c1-4-10-23-19(7-1)15-24(38-23)30-22(33-35-13-14-36-33)18-25-32(31(30)28-16-20-8-2-5-11-26(20)40-28)37-34(39-25)29-17-21-9-3-6-12-27(21)41-29/h1-18H,(H,35,36).
What are the key properties of 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole?
5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole has a molecular weight of 565.68 g/mol, XLogP of 10.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-2,4-bis(1-benzothiophen-2-yl)-6-(1H-imidazol-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 141128669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).