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

C22H12N10O2S3 — CID 140978233

IUPAC4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole
SMILESc1ccc(C2(c3ccon3)N=C(c3csnn3)C(c3conn3)=C(c3ccsn3)N2c2nccs2)nc1
InChIInChI=1S/C22H12N10O2S3/c1-2-6-23-16(3-1)22(17-4-8-33-28-17)25-19(15-12-37-31-27-15)18(14-11-34-30-26-14)20(13-5-9-36-29-13)32(22)21-24-7-10-35-21/h1-12H
InChIKeyYSEBRHRFWXNXEU-UHFFFAOYSA-N
MW544.61 g/mol
LogP4.00
Rot. Bonds6

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

4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole (PubChem CID 140978233) has the molecular formula C22H12N10O2S3 and a molecular weight of 544.61 g/mol. Its IUPAC name is 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole.

Molecular Properties

Compound Name4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole
PubChem CID140978233
Molecular FormulaC22H12N10O2S3
Molecular Weight544.61 g/mol
Exact Mass544.03
IUPAC Name4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole
SMILESc1ccc(C2(c3ccon3)N=C(c3csnn3)C(c3conn3)=C(c3ccsn3)N2c2nccs2)nc1
InChIInChI=1S/C22H12N10O2S3/c1-2-6-23-16(3-1)22(17-4-8-33-28-17)25-19(15-12-37-31-27-15)18(14-11-34-30-26-14)20(13-5-9-36-29-13)32(22)21-24-7-10-35-21/h1-12H
InChIKeyYSEBRHRFWXNXEU-UHFFFAOYSA-N
XLogP4.00
TPSA145.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.61
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Related Compounds

4-[2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyrimidin-5-yl]oxadiazole
CID 140970518
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-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-4H-pyrimidin-5-yl]oxadiazole
CID 141015105
4-[4-(1H-imidazol-2-yl)-1-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(2H-triazol-4-yl)-2-pyridinyl]oxadiazole
CID 141048954

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole?
The IUPAC name of 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole (CID 140978233) is 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole.
What is the SMILES notation for 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole?
The canonical SMILES for 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole is c1ccc(C2(c3ccon3)N=C(c3csnn3)C(c3conn3)=C(c3ccsn3)N2c2nccs2)nc1.
What is the InChIKey of 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole?
The InChIKey is YSEBRHRFWXNXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N10O2S3/c1-2-6-23-16(3-1)22(17-4-8-33-28-17)25-19(15-12-37-31-27-15)18(14-11-34-30-26-14)20(13-5-9-36-29-13)32(22)21-24-7-10-35-21/h1-12H.
What are the key properties of 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole?
4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole has a molecular weight of 544.61 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2-oxazol-3-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)pyrimidin-5-yl]oxadiazole is sourced from PubChem (CID 140978233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).