2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole

C43H28N6O2S2 — CID 141151189

IUPAC2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncco3)C(c3cc4ccccc4o3)C(c3ncc[nH]3)(c3cc4ccccc4s3)C(c3nccs3)=C2c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C43H28N6O2S2/c1-4-11-28-25(8-1)22-30(49-28)36-35(29-12-7-15-44-29)37(40-45-18-20-50-40)38(32-23-26-9-2-5-13-31(26)51-32)43(42-47-16-17-48-42,39(36)41-46-19-21-52-41)34-24-27-10-3-6-14-33(27)53-34/h1-24,38,44,49H,(H,47,48)
InChIKeyPCNQBZSJHMZXDP-UHFFFAOYSA-N
MW724.87 g/mol
LogP10.93
Rot. Bonds7

About 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole

2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole (PubChem CID 141151189) has the molecular formula C43H28N6O2S2 and a molecular weight of 724.87 g/mol. Its IUPAC name is 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
PubChem CID141151189
Molecular FormulaC43H28N6O2S2
Molecular Weight724.87 g/mol
Exact Mass724.17
IUPAC Name2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole
SMILESc1c[nH]c(C2=C(c3ncco3)C(c3cc4ccccc4o3)C(c3ncc[nH]3)(c3cc4ccccc4s3)C(c3nccs3)=C2c2cc3ccccc3[nH]2)c1
InChIInChI=1S/C43H28N6O2S2/c1-4-11-28-25(8-1)22-30(49-28)36-35(29-12-7-15-44-29)37(40-45-18-20-50-40)38(32-23-26-9-2-5-13-31(26)51-32)43(42-47-16-17-48-42,39(36)41-46-19-21-52-41)34-24-27-10-3-6-14-33(27)53-34/h1-24,38,44,49H,(H,47,48)
InChIKeyPCNQBZSJHMZXDP-UHFFFAOYSA-N
XLogP10.93
TPSA112.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.87
LogP ≤ 510.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole (CID 141151189) is 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole is c1c[nH]c(C2=C(c3ncco3)C(c3cc4ccccc4o3)C(c3ncc[nH]3)(c3cc4ccccc4s3)C(c3nccs3)=C2c2cc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole?
The InChIKey is PCNQBZSJHMZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6O2S2/c1-4-11-28-25(8-1)22-30(49-28)36-35(29-12-7-15-44-29)37(40-45-18-20-50-40)38(32-23-26-9-2-5-13-31(26)51-32)43(42-47-16-17-48-42,39(36)41-46-19-21-52-41)34-24-27-10-3-6-14-33(27)53-34/h1-24,38,44,49H,(H,47,48).
What are the key properties of 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole?
2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole has a molecular weight of 724.87 g/mol, XLogP of 10.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-5-(1H-imidazol-2-yl)-3-(1H-indol-2-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)cyclohexa-1,3-dien-1-yl]-1,3-oxazole is sourced from PubChem (CID 141151189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).