2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole

C40H24N10O5S5 — CID 123722985

IUPAC2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole
SMILESC1=CN(c2coc(-c3occc3-c3ccoc3-c3sccc3-c3ccsc3)n2)C(c2coc(-c3nc(N4C=CSC4c4csc(-n5ccc(-c6ccn[nH]6)n5)n4)cs3)n2)O1
InChIInChI=1S/C40H24N10O5S5/c1-7-41-46-26(1)27-2-8-50(47-27)40-43-29(20-60-40)39-49(10-16-58-39)31-21-59-37(45-31)36-42-28(17-54-36)38-48(9-13-53-38)30-18-55-35(44-30)33-25(4-12-52-33)24-3-11-51-32(24)34-23(6-15-57-34)22-5-14-56-19-22/h1-21,38-39H,(H,41,46)
InChIKeyGKIDZLFHLVOJAQ-UHFFFAOYSA-N
MW885.03 g/mol
LogP11.53
Rot. Bonds11

About 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole

2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole (PubChem CID 123722985) has the molecular formula C40H24N10O5S5 and a molecular weight of 885.03 g/mol. Its IUPAC name is 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole
PubChem CID123722985
Molecular FormulaC40H24N10O5S5
Molecular Weight885.03 g/mol
Exact Mass884.05
IUPAC Name2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole
SMILESC1=CN(c2coc(-c3occc3-c3ccoc3-c3sccc3-c3ccsc3)n2)C(c2coc(-c3nc(N4C=CSC4c4csc(-n5ccc(-c6ccn[nH]6)n5)n4)cs3)n2)O1
InChIInChI=1S/C40H24N10O5S5/c1-7-41-46-26(1)27-2-8-50(47-27)40-43-29(20-60-40)39-49(10-16-58-39)31-21-59-37(45-31)36-42-28(17-54-36)38-48(9-13-53-38)30-18-55-35(44-30)33-25(4-12-52-33)24-3-11-51-32(24)34-23(6-15-57-34)22-5-14-56-19-22/h1-21,38-39H,(H,41,46)
InChIKeyGKIDZLFHLVOJAQ-UHFFFAOYSA-N
XLogP11.53
TPSA166.33 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.03
LogP ≤ 511.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole with MolForge

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Related Compounds

3-(furan-2-yl)-4-(1,3-oxazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yl-1,2-oxazolidine
CID 141042260

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole (CID 123722985) is 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole is C1=CN(c2coc(-c3occc3-c3ccoc3-c3sccc3-c3ccsc3)n2)C(c2coc(-c3nc(N4C=CSC4c4csc(-n5ccc(-c6ccn[nH]6)n5)n4)cs3)n2)O1.
What is the InChIKey of 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole?
The InChIKey is GKIDZLFHLVOJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N10O5S5/c1-7-41-46-26(1)27-2-8-50(47-27)40-43-29(20-60-40)39-49(10-16-58-39)31-21-59-37(45-31)36-42-28(17-54-36)38-48(9-13-53-38)30-18-55-35(44-30)33-25(4-12-52-33)24-3-11-51-32(24)34-23(6-15-57-34)22-5-14-56-19-22/h1-21,38-39H,(H,41,46).
What are the key properties of 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole?
2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole has a molecular weight of 885.03 g/mol, XLogP of 11.53, 11 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[3-(1H-pyrazol-5-yl)pyrazol-1-yl]-1,3-thiazol-4-yl]-2H-1,3-thiazol-3-yl]-1,3-thiazol-2-yl]-4-[3-[2-[3-[2-(3-thiophen-3-ylthiophen-2-yl)furan-3-yl]furan-2-yl]-1,3-oxazol-4-yl]-2H-1,3-oxazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 123722985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).