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

C20H10N10O4S2 — CID 141196753

IUPAC4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
SMILESc1coc(C2=C(c3csnn3)N(c3nccs3)N(c3ccon3)C(c3ccon3)=C2c2conn2)n1
InChIInChI=1S/C20H10N10O4S2/c1-5-32-25-11(1)17-15(12-9-34-27-23-12)16(19-21-3-7-31-19)18(13-10-36-28-24-13)30(20-22-4-8-35-20)29(17)14-2-6-33-26-14/h1-10H
InChIKeyYTVUTDQDVKMHFU-UHFFFAOYSA-N
MW518.50 g/mol
LogP3.72
Rot. Bonds6

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

4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole (PubChem CID 141196753) has the molecular formula C20H10N10O4S2 and a molecular weight of 518.50 g/mol. Its IUPAC name is 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
PubChem CID141196753
Molecular FormulaC20H10N10O4S2
Molecular Weight518.50 g/mol
Exact Mass518.03
IUPAC Name4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
SMILESc1coc(C2=C(c3csnn3)N(c3nccs3)N(c3ccon3)C(c3ccon3)=C2c2conn2)n1
InChIInChI=1S/C20H10N10O4S2/c1-5-32-25-11(1)17-15(12-9-34-27-23-12)16(19-21-3-7-31-19)18(13-10-36-28-24-13)30(20-22-4-8-35-20)29(17)14-2-6-33-26-14/h1-10H
InChIKeyYTVUTDQDVKMHFU-UHFFFAOYSA-N
XLogP3.72
TPSA162.16 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

2-[4-(1,2-oxazol-3-yl)-2-(1,2-thiazol-3-yl)-3,6-bis(1,3-thiazol-2-yl)-1-(2H-triazol-4-yl)-2H-pyridin-5-yl]-1,3-oxazole
CID 140998091
4-[6-(1,2-oxazol-3-yl)-1-(1,3-oxazol-2-yl)-2-(thiadiazol-4-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-2H-pyridin-3-yl]oxadiazole
CID 140998454
4-[4-(1,2-Oxazol-3-yl)-3-(1,3-oxazol-2-yl)-3-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]oxadiazole
CID 141125713
4-[2-(2H-isoindol-1-yl)-3-(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole
CID 141196724

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?
The IUPAC name of 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole (CID 141196753) is 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole.
What is the SMILES notation for 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?
The canonical SMILES for 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole is c1coc(C2=C(c3csnn3)N(c3nccs3)N(c3ccon3)C(c3ccon3)=C2c2conn2)n1.
What is the InChIKey of 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?
The InChIKey is YTVUTDQDVKMHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10N10O4S2/c1-5-32-25-11(1)17-15(12-9-34-27-23-12)16(19-21-3-7-31-19)18(13-10-36-28-24-13)30(20-22-4-8-35-20)29(17)14-2-6-33-26-14/h1-10H.
What are the key properties of 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole?
4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole has a molecular weight of 518.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-bis(1,2-oxazol-3-yl)-5-(1,3-oxazol-2-yl)-6-(thiadiazol-4-yl)-1-(1,3-thiazol-2-yl)pyridazin-4-yl]oxadiazole is sourced from PubChem (CID 141196753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).