3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole

C22H13N7O5S — CID 141186215

IUPAC3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
SMILESc1coc(C2(c3conn3)C(c3cnon3)C(c3ccon3)=C(c3ncco3)N2c2cccs2)c1
InChIInChI=1S/C22H13N7O5S/c1-3-16(30-7-1)22(15-12-33-28-25-15)19(14-11-24-34-27-14)18(13-5-8-32-26-13)20(21-23-6-9-31-21)29(22)17-4-2-10-35-17/h1-12,19H
InChIKeyFGIHSCOXVQLTMK-UHFFFAOYSA-N
MW487.46 g/mol
LogP4.20
Rot. Bonds6

About 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole

3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole (PubChem CID 141186215) has the molecular formula C22H13N7O5S and a molecular weight of 487.46 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
PubChem CID141186215
Molecular FormulaC22H13N7O5S
Molecular Weight487.46 g/mol
Exact Mass487.07
IUPAC Name3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
SMILESc1coc(C2(c3conn3)C(c3cnon3)C(c3ccon3)=C(c3ncco3)N2c2cccs2)c1
InChIInChI=1S/C22H13N7O5S/c1-3-16(30-7-1)22(15-12-33-28-25-15)19(14-11-24-34-27-14)18(13-5-8-32-26-13)20(21-23-6-9-31-21)29(22)17-4-2-10-35-17/h1-12,19H
InChIKeyFGIHSCOXVQLTMK-UHFFFAOYSA-N
XLogP4.20
TPSA146.28 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole 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

3-[3-[4-(Furan-3-yl)-3-thiophen-2-ylfuran-2-yl]thiophen-2-yl]-4-[3-[3-[2-[1-[1-(1,3-oxazol-2-yl)pyrrol-3-yl]pyrrol-2-yl]pyrrol-1-yl]-1,2-oxazol-5-yl]-1,2-oxazol-4-yl]-1,2-oxazole
CID 90766371
3-[4-(1,3-oxazol-2-yl)-1,3-thiazol-5-yl]-4-(2H-triazol-4-yl)-1,2-oxazole
CID 91316470
2-[5-(aziridin-1-yl)-3-(furan-2-yl)-6-pyridin-2-yl-4-thiophen-2-yl-3-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 140979166
2-[2-(Furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(thiadiazol-4-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1,3-oxazole
CID 141026538
4-[4-(furan-2-yl)-3-(1,3-oxazol-2-yl)-4-pyrrolidin-1-yl-5-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1,2-oxazolidin-3-yl]morpholine
CID 141075075
2-[1-(Furan-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-5-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
CID 141075802
4-[4-(furan-2-yl)-2-(1,3-oxazol-2-yl)-3-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidin-2-yl]-3H-dioxazole
CID 141090806
2-[4-(Furan-2-yl)-3-(1,2-oxazol-3-yl)-1-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4-thiophen-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 141116088
3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-phenylsulfanyl-3H-pyrrol-3-yl]-1,2,5-oxadiazole
CID 141186213
4-[5-(Furan-2-yl)-3-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)thiophen-2-yl]oxadiazole
CID 141328735
3-(Methoxymethyl)-5-propan-2-yl-1,2-oxazole;2-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-phenyl-2-propan-2-yl-1,3-oxazole
CID 161646778
N-((6-(furan-2-yl)pyridin-3-yl)methyl)-5-(thiophen-2-yl)isoxazole-3-carboxamide
CID 92093537

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?
The IUPAC name of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole (CID 141186215) is 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole is c1coc(C2(c3conn3)C(c3cnon3)C(c3ccon3)=C(c3ncco3)N2c2cccs2)c1.
What is the InChIKey of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?
The InChIKey is FGIHSCOXVQLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N7O5S/c1-3-16(30-7-1)22(15-12-33-28-25-15)19(14-11-24-34-27-14)18(13-5-8-32-26-13)20(21-23-6-9-31-21)29(22)17-4-2-10-35-17/h1-12,19H.
What are the key properties of 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole?
3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole has a molecular weight of 487.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-2-(oxadiazol-4-yl)-4-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-1-thiophen-2-yl-3H-pyrrol-3-yl]-1,2,5-oxadiazole is sourced from PubChem (CID 141186215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).