2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole

C35H24N6O2S2 — CID 141008273

IUPAC2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
SMILESc1c[nH]c(C2(c3nccs3)C(c3cc4ccccc4[nH]3)=C(c3cccs3)C(c3ccco3)=C(c3ncc[nH]3)C2c2ncco2)c1
InChIInChI=1S/C35H24N6O2S2/c1-2-7-22-21(6-1)20-23(41-22)30-28(25-9-5-18-44-25)27(24-8-4-16-42-24)29(32-37-12-13-38-32)31(33-39-14-17-43-33)35(30,26-10-3-11-36-26)34-40-15-19-45-34/h1-20,31,36,41H,(H,37,38)
InChIKeyLLBJKFLAHFDXPV-UHFFFAOYSA-N
MW624.75 g/mol
LogP8.62
Rot. Bonds7

About 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole

2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole (PubChem CID 141008273) has the molecular formula C35H24N6O2S2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
PubChem CID141008273
Molecular FormulaC35H24N6O2S2
Molecular Weight624.75 g/mol
Exact Mass624.14
IUPAC Name2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole
SMILESc1c[nH]c(C2(c3nccs3)C(c3cc4ccccc4[nH]3)=C(c3cccs3)C(c3ccco3)=C(c3ncc[nH]3)C2c2ncco2)c1
InChIInChI=1S/C35H24N6O2S2/c1-2-7-22-21(6-1)20-23(41-22)30-28(25-9-5-18-44-25)27(24-8-4-16-42-24)29(32-37-12-13-38-32)31(33-39-14-17-43-33)35(30,26-10-3-11-36-26)34-40-15-19-45-34/h1-20,31,36,41H,(H,37,38)
InChIKeyLLBJKFLAHFDXPV-UHFFFAOYSA-N
XLogP8.62
TPSA112.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 58.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole with MolForge

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Related Compounds

1-cyclohexyl-2-(2-furyl)-N-[(1S)-2-(5-hydroxy-1H-indol-3-yl)-1-thiazol-4-yl-ethyl]benzimidazole-5-carboxamide
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US12331044, Example 42
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2-[3-(1H-imidazol-2-yl)-5-(1,3-thiazol-2-yl)-1H-indol-4-yl]-1,3-oxazole
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2-[2-(furan-2-yl)-1-(1H-imidazol-2-yl)-6-(1H-indol-2-yl)-5-pyrrolidin-1-yl-3-thiophen-2-yl-2H-pyridin-4-yl]-1,3-thiazole
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2-[2-(furan-2-yl)-4-(1H-imidazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperazin-2-yl]-1,3-thiazole
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2-[2-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-1H-imidazol-5-yl]-4-[4-(1H-indol-2-yl)-1,3-oxazol-2-yl]-1,3-benzoxazole
CID 91402386
2-[3-[2-[2-[4-(furan-2-yl)-3-(1H-indol-2-yl)thiophen-2-yl]-1H-pyrrol-3-yl]-3-pyridinyl]pyrazin-2-yl]-1,3-oxazole
CID 91516242
2-[6-[[2-[2-Butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazol-4-yl]methyl]-4-(2,3-dimethylimidazol-4-yl)-5-methyl-2-pyridinyl]-1,3-oxazole
CID 123776177
4-[5-[3-[2-[4-[3-[3-[3-(1H-imidazol-2-yl)-1H-pyrrol-2-yl]thiophen-2-yl]furan-2-yl]-1,3-thiazol-2-yl]piperazin-1-yl]oxan-2-yl]-2-piperidin-1-yl-2-(1,3-thiazolidin-2-yl)pyrrolidin-3-yl]-3-(2-quinazolin-2-yl-1,3-oxazolidin-2-yl)morpholine
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6-(1,3-benzothiazol-2-ylmethyl)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3-benzoxazole
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2-butylsulfinyl-6-[5-[5-(2-butylsulfinyl-1H-imidazo[4,5-b]pyridin-5-yl)thiophen-3-yl]-1,3-oxazol-2-yl]-4-phenylthieno[2,3-b]pyridin-3-amine
CID 129280135
5-[2-(1,3-benzothiazol-2-yl)propyl]-2-[2-(5-propan-2-yl-1H-imidazol-2-yl)propan-2-yl]-1,3-benzoxazole
CID 132247639

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole (CID 141008273) is 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole is c1c[nH]c(C2(c3nccs3)C(c3cc4ccccc4[nH]3)=C(c3cccs3)C(c3ccco3)=C(c3ncc[nH]3)C2c2ncco2)c1.
What is the InChIKey of 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole?
The InChIKey is LLBJKFLAHFDXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N6O2S2/c1-2-7-22-21(6-1)20-23(41-22)30-28(25-9-5-18-44-25)27(24-8-4-16-42-24)29(32-37-12-13-38-32)31(33-39-14-17-43-33)35(30,26-10-3-11-36-26)34-40-15-19-45-34/h1-20,31,36,41H,(H,37,38).
What are the key properties of 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole?
2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole has a molecular weight of 624.75 g/mol, XLogP of 8.62, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-indol-2-yl)-6-(1H-pyrrol-2-yl)-6-(1,3-thiazol-2-yl)-4-thiophen-2-ylcyclohexa-2,4-dien-1-yl]-1,3-oxazole is sourced from PubChem (CID 141008273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).