2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole

C35H21NO3S4 — CID 141047349

IUPAC2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole
SMILESc1coc(S2(c3ncco3)C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cccs3)=C2c2cc3ccccc3s2)c1
InChIInChI=1S/C35H21NO3S4/c1-3-10-24-22(8-1)20-25(39-24)33-31(27-12-6-18-40-27)32(28-13-7-19-41-28)34(29-21-23-9-2-4-11-26(23)42-29)43(33,30-14-5-16-37-30)35-36-15-17-38-35/h1-21H
InChIKeyFEAWFNSASDHIHF-UHFFFAOYSA-N
MW631.83 g/mol
LogP11.72
Rot. Bonds6

About 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole

2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole (PubChem CID 141047349) has the molecular formula C35H21NO3S4 and a molecular weight of 631.83 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole
PubChem CID141047349
Molecular FormulaC35H21NO3S4
Molecular Weight631.83 g/mol
Exact Mass631.04
IUPAC Name2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole
SMILESc1coc(S2(c3ncco3)C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cccs3)=C2c2cc3ccccc3s2)c1
InChIInChI=1S/C35H21NO3S4/c1-3-10-24-22(8-1)20-25(39-24)33-31(27-12-6-18-40-27)32(28-13-7-19-41-28)34(29-21-23-9-2-4-11-26(23)42-29)43(33,30-14-5-16-37-30)35-36-15-17-38-35/h1-21H
InChIKeyFEAWFNSASDHIHF-UHFFFAOYSA-N
XLogP11.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.83
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole with MolForge

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Related Compounds

3-methylbutylsulfanylbenzene;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;2-(4-methylpent-1-ynyl)thiophene;dodecakis(2-methylpropane);2-methylpropylsulfanylmethylbenzene
CID 158049887
2-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene
CID 158150487
2-(2,2-Dimethylpropyl)furan;3-(2,2-dimethylpropyl)furan;2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)-1,3-thiazole;2-(2,2-dimethylpropyl)thiophene;3-(2,2-dimethylpropyl)thiophene;methane
CID 159877449
Carbon dioxide;2-(3,3-dimethylbutan-2-yl)furan;2-(2,2-dimethyl-1-phenylpropyl)furan;2-(2,2-dimethylpropyl)furan;bis(2-(2,2-dimethylpropyl)-5-methylfuran);2-(2,2-dimethylpropyl)-1,3-oxazole;2-(2,2-dimethylpropyl)thiophene
CID 160214076
3-methylbutylsulfanylbenzene;2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;2-(4-methylpent-1-ynyl)-1,3-thiazole;2-(4-methylpent-1-ynyl)thiophene;undecakis(2-methylpropane);2-methylpropylsulfanylmethylbenzene
CID 161024692
2-[(E)-4-methylpent-1-enyl]furan;2-[(E)-4-methylpent-1-enyl]-1,3-oxazole;2-[(E)-4-methylpent-1-enyl]-1,3-thiazole;2-[(E)-4-methylpent-1-enyl]thiophene;2-(4-methylpentyl)furan;2-(4-methylpentyl)thiophene;2-(4-methylpent-1-ynyl)furan;2-(4-methylpent-1-ynyl)-1,3-oxazole;2-(4-methylpent-1-ynyl)-1,3-thiazole;2-(4-methylpent-1-ynyl)thiophene;undecakis(2-methylpropane);2-methylpropylsulfanylmethylbenzene
CID 161105738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole (CID 141047349) is 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole is c1coc(S2(c3ncco3)C(c3cc4ccccc4o3)=C(c3cccs3)C(c3cccs3)=C2c2cc3ccccc3s2)c1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole?
The InChIKey is FEAWFNSASDHIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NO3S4/c1-3-10-24-22(8-1)20-25(39-24)33-31(27-12-6-18-40-27)32(28-13-7-19-41-28)34(29-21-23-9-2-4-11-26(23)42-29)43(33,30-14-5-16-37-30)35-36-15-17-38-35/h1-21H.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole?
2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole has a molecular weight of 631.83 g/mol, XLogP of 11.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3,4-dithiophen-2-ylthiophen-1-yl]-1,3-oxazole is sourced from PubChem (CID 141047349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).