4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole

C24H11N11O3S2 — CID 141196717

IUPAC4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
SMILESc1cnnc(-c2nn(-c3nccs3)c3c(-c4csnn4)c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c23)c1
InChIInChI=1S/C24H11N11O3S2/c1-2-13(28-27-4-1)21-20-16(12-3-7-37-32-12)17(14-10-38-33-29-14)19(23-25-5-8-36-23)18(15-11-40-34-30-15)22(20)35(31-21)24-26-6-9-39-24/h1-11H
InChIKeyGHLFBGRZJCEMKC-UHFFFAOYSA-N
MW565.56 g/mol
LogP4.82
Rot. Bonds6

About 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole

4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole (PubChem CID 141196717) has the molecular formula C24H11N11O3S2 and a molecular weight of 565.56 g/mol. Its IUPAC name is 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole.

Molecular Properties

Compound Name4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
PubChem CID141196717
Molecular FormulaC24H11N11O3S2
Molecular Weight565.56 g/mol
Exact Mass565.05
IUPAC Name4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole
SMILESc1cnnc(-c2nn(-c3nccs3)c3c(-c4csnn4)c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c23)c1
InChIInChI=1S/C24H11N11O3S2/c1-2-13(28-27-4-1)21-20-16(12-3-7-37-32-12)17(14-10-38-33-29-14)19(23-25-5-8-36-23)18(15-11-40-34-30-15)22(20)35(31-21)24-26-6-9-39-24/h1-11H
InChIKeyGHLFBGRZJCEMKC-UHFFFAOYSA-N
XLogP4.82
TPSA173.25 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole with MolForge

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Related Compounds

4-[6-(1,2-Oxazol-3-yl)-7-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)quinolin-3-yl]oxadiazole
CID 141007723
4-[5-(1,2-Oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-1-(thiadiazol-4-yl)indazol-6-yl]oxadiazole
CID 141196712
4-[2-(1H-indazol-3-yl)-5-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-8-(thiadiazol-4-yl)quinoxalin-6-yl]oxadiazole
CID 141196749
5-(furan-2-yl)-7-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-4-thiophen-2-yl-3-(triazin-4-yl)-1H-2,1,3-benzoxadiazole
CID 141205219
4-[7-(1,2-oxazol-3-yl)-4-(1,3-oxazol-2-yl)-2-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)quinolin-5-yl]oxadiazole
CID 141374333

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole?
The IUPAC name of 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole (CID 141196717) is 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole.
What is the SMILES notation for 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole?
The canonical SMILES for 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole is c1cnnc(-c2nn(-c3nccs3)c3c(-c4csnn4)c(-c4ncco4)c(-c4conn4)c(-c4ccon4)c23)c1.
What is the InChIKey of 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole?
The InChIKey is GHLFBGRZJCEMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11N11O3S2/c1-2-13(28-27-4-1)21-20-16(12-3-7-37-32-12)17(14-10-38-33-29-14)19(23-25-5-8-36-23)18(15-11-40-34-30-15)22(20)35(31-21)24-26-6-9-39-24/h1-11H.
What are the key properties of 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole?
4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole has a molecular weight of 565.56 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,2-oxazol-3-yl)-6-(1,3-oxazol-2-yl)-3-pyridazin-3-yl-7-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)indazol-5-yl]oxadiazole is sourced from PubChem (CID 141196717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).