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

C23H15N7O4S — CID 141091541

IUPAC4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole
SMILESc1c[nH]c(N2C(c3ccon3)=C(c3ncco3)C(c3conn3)(c3cccs3)N2c2ccco2)c1
InChIInChI=1S/C23H15N7O4S/c1-5-18(24-8-1)29-21(15-7-11-33-27-15)20(22-25-9-12-32-22)23(16-14-34-28-26-16,17-4-3-13-35-17)30(29)19-6-2-10-31-19/h1-14,24H
InChIKeyUIMQZAXLOAZCLQ-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.78
Rot. Bonds6

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

4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole (PubChem CID 141091541) has the molecular formula C23H15N7O4S and a molecular weight of 485.49 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole.

Molecular Properties

Compound Name4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole
PubChem CID141091541
Molecular FormulaC23H15N7O4S
Molecular Weight485.49 g/mol
Exact Mass485.09
IUPAC Name4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole
SMILESc1c[nH]c(N2C(c3ccon3)=C(c3ncco3)C(c3conn3)(c3cccs3)N2c2ccco2)c1
InChIInChI=1S/C23H15N7O4S/c1-5-18(24-8-1)29-21(15-7-11-33-27-15)20(22-25-9-12-32-22)23(16-14-34-28-26-16,17-4-3-13-35-17)30(29)19-6-2-10-31-19/h1-14,24H
InChIKeyUIMQZAXLOAZCLQ-UHFFFAOYSA-N
XLogP4.78
TPSA126.39 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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

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Related Compounds

2-[2-[5-(1H-pyrrol-3-yl)-1H-pyrazol-4-yl]-1H-imidazol-5-yl]-4-[4-(1,3-thiazol-2-yl)-1,2-oxazol-3-yl]-1,3-oxazole
CID 136170764
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
4-[4-(1,3-oxazol-2-yl)-2-[5-(1H-pyrrol-2-yl)-1H-imidazol-2-yl]thiophen-3-yl]oxadiazole
CID 136509959
2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
CID 140973569
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
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
3-[3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yltriazolidin-4-yl]-1,2-oxazole
CID 141027264
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
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-5-thiophen-3-yl-1H-pyrrol-3-yl]-1,3-oxazole
CID 141041729
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-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
CID 141082646
2-[1-(furan-2-yl)-5-pyridin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2-thiophen-2-yltriazolidin-4-yl]-1,3-oxazole
CID 141167977

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole?
The IUPAC name of 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole (CID 141091541) is 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole.
What is the SMILES notation for 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole?
The canonical SMILES for 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole is c1c[nH]c(N2C(c3ccon3)=C(c3ncco3)C(c3conn3)(c3cccs3)N2c2ccco2)c1.
What is the InChIKey of 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole?
The InChIKey is UIMQZAXLOAZCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N7O4S/c1-5-18(24-8-1)29-21(15-7-11-33-27-15)20(22-25-9-12-32-22)23(16-14-34-28-26-16,17-4-3-13-35-17)30(29)19-6-2-10-31-19/h1-14,24H.
What are the key properties of 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole?
4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole has a molecular weight of 485.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)-5-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-1-(1H-pyrrol-2-yl)-3-thiophen-2-ylpyrazol-3-yl]oxadiazole is sourced from PubChem (CID 141091541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).