2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole

C24H16N10O2S2 — CID 141019125

IUPAC2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ccon3)N(c3ncco3)N(c3ccsn3)N(c3nccs3)C2c2ncccn2)nc1
InChIInChI=1S/C24H16N10O2S2/c1-2-7-25-16(4-1)19-20(17-5-12-36-30-17)32(23-28-10-13-35-23)34(18-6-14-38-31-18)33(24-29-11-15-37-24)21(19)22-26-8-3-9-27-22/h1-15,21H
InChIKeyWMIHSMZGXOFCJU-UHFFFAOYSA-N
MW540.59 g/mol
LogP4.73
Rot. Bonds6

About 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole

2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole (PubChem CID 141019125) has the molecular formula C24H16N10O2S2 and a molecular weight of 540.59 g/mol. Its IUPAC name is 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole
PubChem CID141019125
Molecular FormulaC24H16N10O2S2
Molecular Weight540.59 g/mol
Exact Mass540.09
IUPAC Name2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole
SMILESc1ccc(C2=C(c3ccon3)N(c3ncco3)N(c3ccsn3)N(c3nccs3)C2c2ncccn2)nc1
InChIInChI=1S/C24H16N10O2S2/c1-2-7-25-16(4-1)19-20(17-5-12-36-30-17)32(23-28-10-13-35-23)34(18-6-14-38-31-18)33(24-29-11-15-37-24)21(19)22-26-8-3-9-27-22/h1-15,21H
InChIKeyWMIHSMZGXOFCJU-UHFFFAOYSA-N
XLogP4.73
TPSA126.23 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

2-[1-(1,2-oxazol-3-yl)-2-pyrazin-2-yl-4-pyridin-2-yl-3-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 140981688
2-[6-(1,2-oxazol-3-yl)-4-pyridin-2-yl-3-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)-4H-pyridazin-1-yl]-1,3-oxazole
CID 140985954
2-[6-(1,2-Oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4-thiophen-2-yltriazin-1-yl]-1,3-oxazole
CID 141019118
2-[4-(1,2-oxazol-3-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-6-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-yl-4H-pyrimidin-5-yl]-1,3-oxazole
CID 141019119
2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)-1-pyridinyl]-1,3-oxazole
CID 141099595
3-[3-(1,2-Oxazol-3-yl)-2-(1,3-oxazol-2-yl)-6-pyridin-2-yl-5-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyridazin-1-yl]-1,2,5-oxadiazole
CID 141305426
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-yltetrazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 158938502

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole (CID 141019125) is 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole is c1ccc(C2=C(c3ccon3)N(c3ncco3)N(c3ccsn3)N(c3nccs3)C2c2ncccn2)nc1.
What is the InChIKey of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole?
The InChIKey is WMIHSMZGXOFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N10O2S2/c1-2-7-25-16(4-1)19-20(17-5-12-36-30-17)32(23-28-10-13-35-23)34(18-6-14-38-31-18)33(24-29-11-15-37-24)21(19)22-26-8-3-9-27-22/h1-15,21H.
What are the key properties of 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole?
2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole has a molecular weight of 540.59 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,2-oxazol-3-yl)-5-pyridin-2-yl-4-pyrimidin-2-yl-2-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)-4H-triazin-1-yl]-1,3-oxazole is sourced from PubChem (CID 141019125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).