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

C24H10N12O3S3 — CID 54015368

IUPAC5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
SMILESc1cc(-c2nccnc2-c2nc(-c3nccs3)co2)nc(-c2snnc2-c2conc2-c2csnc2-c2cnno2)n1
InChIInChI=1S/C24H10N12O3S3/c1-2-27-22(30-13(1)19-20(26-4-3-25-19)23-31-14(9-37-23)24-28-5-6-40-24)21-18(32-36-42-21)11-8-38-33-16(11)12-10-41-34-17(12)15-7-29-35-39-15/h1-10H
InChIKeyPEUCTBFRIFERQJ-UHFFFAOYSA-N
MW610.63 g/mol
LogP5.06
Rot. Bonds7

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

5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole (PubChem CID 54015368) has the molecular formula C24H10N12O3S3 and a molecular weight of 610.63 g/mol. Its IUPAC name is 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole.

Molecular Properties

Compound Name5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
PubChem CID54015368
Molecular FormulaC24H10N12O3S3
Molecular Weight610.63 g/mol
Exact Mass610.02
IUPAC Name5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole
SMILESc1cc(-c2nccnc2-c2nc(-c3nccs3)co2)nc(-c2snnc2-c2conc2-c2csnc2-c2cnno2)n1
InChIInChI=1S/C24H10N12O3S3/c1-2-27-22(30-13(1)19-20(26-4-3-25-19)23-31-14(9-37-23)24-28-5-6-40-24)21-18(32-36-42-21)11-8-38-33-16(11)12-10-41-34-17(12)15-7-29-35-39-15/h1-10H
InChIKeyPEUCTBFRIFERQJ-UHFFFAOYSA-N
XLogP5.06
TPSA194.10 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500610.63
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Related Compounds

5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2-oxazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-(1-fluoroethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 159443558
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine
CID 160376362
1-Benzyl-4-propan-2-ylpyrazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-thiazole;2-tert-butyl-4-methylthiophene;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;4-tert-butyl-1-(2,2,2-trifluoroethyl)pyrazole;1,3-dimethyl-4-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-1,2,4-triazole;3-ethyl-5-propan-2-yl-1,2-oxazole;methane;4-[2-(4-propan-2-ylpyrazol-1-yl)ethyl]morpholine;3-propan-2-ylpyridine
CID 161268836
4-[1-[5-[4-[5-[2-[3-[4-(oxadiazol-4-yl)-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1H-pyrrol-3-yl]tetrazol-1-yl]thiadiazol-5-yl]-1H-triazol-4-yl]pyrrolidin-2-yl]-3-[3-[2-[4-[3-[2-[4-[3-[2-[[4-[4-[4-(1,2-thiazol-3-yl)-1,2-oxazol-3-yl]-1,3-oxazol-2-yl]-1,3-thiazol-2-yl]sulfanyl]phenyl]furan-2-yl]pyridazin-3-yl]piperazin-1-yl]pyrazin-2-yl]pyrimidin-2-yl]piperidin-1-yl]-2-pyridinyl]morpholine
CID 91803295
4-[3-[2-[2-[2-[(4-phenyl-1,3-thiazol-5-yl)sulfanyl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-5-[4-[4-[5-[4-[3-[3-[4-(1H-pyrazol-3-yloxy)pyrimidin-2-yl]-2-pyridinyl]pyrazin-2-yl]pyridazin-3-yl]thiadiazol-4-yl]-1H-imidazol-2-yl]-1H-pyrazol-3-yl]oxadiazole
CID 123454194
5-[5-(4-pyrazin-2-ylpyridazin-3-yl)thiadiazol-4-yl]-4-[5-[4-[2-[2-[3-[2-[3-[2-[4-(1H-pyrazol-3-yl)-1H-imidazol-5-yl]-1,3-oxazol-4-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1,2-thiazol-4-yl]-3-pyridinyl]pyrimidin-4-yl]-1H-triazol-5-yl]tetrazol-1-yl]oxadiazole
CID 123662643
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
4-[3-[2-(3-pyridin-4-ylfuran-2-yl)sulfanylphenyl]-1H-pyrrol-2-yl]-2-[2-[4-(1,3-thiazol-2-yl)-1,2-oxazol-5-yl]-1H-imidazol-5-yl]-1,3-oxazole
CID 136502515
2-[3-[2-[2-[2-[2-(5-pyrazin-2-yl-3-pyridazin-3-yl-4-pyrimidin-2-yl-2-pyridinyl)furan-3-yl]phenyl]sulfanyl-1H-pyrrol-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-[4-(thiadiazol-4-yl)-1,3-thiazol-2-yl]-1,3-oxazole
CID 136653447
2-[2-[2-[3-[4-(1H-pyrazol-5-yl)-1,2-thiazol-5-yl]-1,2-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-4-(1H-pyrrol-2-yl)-1,3-oxazole
CID 136654843
4-(1,2-thiazol-3-yl)-3-[5-[2-[2-[2-(thiolan-2-yl)-1,3-oxazol-4-yl]-1,3-thiazol-4-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-1,2-oxazole
CID 137076653

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole?
The IUPAC name of 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole (CID 54015368) is 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole.
What is the SMILES notation for 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole?
The canonical SMILES for 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole is c1cc(-c2nccnc2-c2nc(-c3nccs3)co2)nc(-c2snnc2-c2conc2-c2csnc2-c2cnno2)n1.
What is the InChIKey of 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole?
The InChIKey is PEUCTBFRIFERQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10N12O3S3/c1-2-27-22(30-13(1)19-20(26-4-3-25-19)23-31-14(9-37-23)24-28-5-6-40-24)21-18(32-36-42-21)11-8-38-33-16(11)12-10-41-34-17(12)15-7-29-35-39-15/h1-10H.
What are the key properties of 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole?
5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole has a molecular weight of 610.63 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[5-[4-[3-[4-(1,3-thiazol-2-yl)-1,3-oxazol-2-yl]pyrazin-2-yl]pyrimidin-2-yl]thiadiazol-4-yl]-1,2-oxazol-3-yl]-1,2-thiazol-3-yl]oxadiazole is sourced from PubChem (CID 54015368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).