2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole

C21H12N4O3S2 — CID 136622089

IUPAC2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2c(-c3cccs3)coc2-c2nc(-c3nocc3-c3nccs3)co2)c1
InChIInChI=1S/C21H12N4O3S2/c1-3-14(22-5-1)17-12(16-4-2-7-29-16)9-26-19(17)20-24-15(11-27-20)18-13(10-28-25-18)21-23-6-8-30-21/h1-11,22H
InChIKeyOJSXBEIDIITMRC-UHFFFAOYSA-N
MW432.49 g/mol
LogP6.44
Rot. Bonds5

About 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole

2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole (PubChem CID 136622089) has the molecular formula C21H12N4O3S2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
PubChem CID136622089
Molecular FormulaC21H12N4O3S2
Molecular Weight432.49 g/mol
Exact Mass432.04
IUPAC Name2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(-c2c(-c3cccs3)coc2-c2nc(-c3nocc3-c3nccs3)co2)c1
InChIInChI=1S/C21H12N4O3S2/c1-3-14(22-5-1)17-12(16-4-2-7-29-16)9-26-19(17)20-24-15(11-27-20)18-13(10-28-25-18)21-23-6-8-30-21/h1-11,22H
InChIKeyOJSXBEIDIITMRC-UHFFFAOYSA-N
XLogP6.44
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole with MolForge

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Related Compounds

2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91496693
4-(1,2-oxazol-3-yl)-2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 136490907
5-(furan-2-yl)-2-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1,3-oxazole
CID 140986058
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
4-[5-(1,2-Oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole
CID 141010635
2-[4-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylimidazolidin-1-yl]-1,3-oxazole
CID 141041360
3-(furan-2-yl)-3-(1,3-oxazol-2-yl)-5-pyridin-2-yl-4-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,2-oxazolidine
CID 141179562
5-(Furan-2-yl)-3-(1,3-oxazol-2-yl)-4-thiophen-2-yl-1,2-oxazole
CID 141186209
5-(furan-2-yl)-4-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,3-oxazole
CID 141189938
3-(furan-2-yl)-5-(1,3-oxazol-2-yl)-5-phenylsulfanyl-4-(4-pyridin-2-yl-1,2-oxazol-3-yl)-4-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
CID 141374342
ethane;2-methylfuran;bis(2-methyl-1,3-oxazole);5-methyl-1,2-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157962371
ethane;2-methylfuran;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 158511894

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole (CID 136622089) is 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole is c1c[nH]c(-c2c(-c3cccs3)coc2-c2nc(-c3nocc3-c3nccs3)co2)c1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
The InChIKey is OJSXBEIDIITMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4O3S2/c1-3-14(22-5-1)17-12(16-4-2-7-29-16)9-26-19(17)20-24-15(11-27-20)18-13(10-28-25-18)21-23-6-8-30-21/h1-11,22H.
What are the key properties of 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole?
2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole has a molecular weight of 432.49 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)-4-thiophen-2-ylfuran-2-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 136622089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).