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

C22H16N8OS — CID 141088035

IUPAC2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
SMILESc1ccc(C2N=C(c3ncco3)C(c3nccs3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C22H16N8OS/c1-2-7-23-15(4-1)20-28-18(21-25-10-12-31-21)17(22-26-11-13-32-22)19(14-6-9-27-29-14)30(20)16-5-3-8-24-16/h1-13,20,24H,(H,27,29)
InChIKeyBVKGOELUDCXESL-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.15
Rot. Bonds5

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

2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole (PubChem CID 141088035) has the molecular formula C22H16N8OS and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
PubChem CID141088035
Molecular FormulaC22H16N8OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole
SMILESc1ccc(C2N=C(c3ncco3)C(c3nccs3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1
InChIInChI=1S/C22H16N8OS/c1-2-7-23-15(4-1)20-28-18(21-25-10-12-31-21)17(22-26-11-13-32-22)19(14-6-9-27-29-14)30(20)16-5-3-8-24-16/h1-13,20,24H,(H,27,29)
InChIKeyBVKGOELUDCXESL-UHFFFAOYSA-N
XLogP4.15
TPSA111.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-5-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)imidazolidin-2-yl]-1,3-oxazole
CID 140973168
2-[2-(1H-imidazol-2-yl)-3-piperidin-1-yl-3-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(thiadiazol-4-yl)-5-(1,3-thiazol-2-yl)pyrrol-1-yl]-1,3-oxazole
CID 141013614
2-[6-(1H-imidazol-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-1-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-2-yl]-1,3-oxazole
CID 141050925
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-5-(5-thiophen-2-yl-2H-triazol-4-yl)tetrazolidin-1-yl]-1,3-oxazole
CID 141050956
2-[5-(1,3-benzothiazol-2-yl)-2-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-4-(1,3-thiazolidin-2-yl)-6-(1,3-thiazol-2-yl)-4H-pyrimidin-3-yl]-1,3-oxazole
CID 141054325
2-[6-(1H-imidazol-2-yl)-1-(1H-pyrazol-5-yl)-2-pyridin-2-yl-2-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-5-(2H-triazol-4-yl)-4H-pyrimidin-4-yl]-1,3-oxazole
CID 141192924
methane;2-propan-2-ylcyclopentan-1-one;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
CID 157171930
3,5-dimethyl-4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;bis(2-propan-2-ylpyridine);2-propan-2-yl-1,3-thiazole
CID 157542792
2-methylpropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157854875
2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;5-propan-2-yl-2H-pyrrole;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 158879041
2-methylpropane;2-propan-2-yl-4,5-dihydro-1,3-oxazole;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 158971516
methane;bis(2-propan-2-yl-1H-imidazole);1-propan-2-ylimidazolidin-2-one;2-propan-2-yl-1,3-oxazole;bis(1-propan-2-ylpyrazole);3-propan-2-yl-4H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrimidin-6-one;(2-propan-2-yl-3H-pyrrol-5-yl)methanamine;2-propan-2-yl-1,3-thiazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 159242233

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole (CID 141088035) is 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole is c1ccc(C2N=C(c3ncco3)C(c3nccs3)=C(c3ccn[nH]3)N2c2ccc[nH]2)nc1.
What is the InChIKey of 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
The InChIKey is BVKGOELUDCXESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8OS/c1-2-7-23-15(4-1)20-28-18(21-25-10-12-31-21)17(22-26-11-13-32-22)19(14-6-9-27-29-14)30(20)16-5-3-8-24-16/h1-13,20,24H,(H,27,29).
What are the key properties of 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole?
2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole has a molecular weight of 440.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1H-pyrazol-5-yl)-2-pyridin-2-yl-1-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)-2H-pyrimidin-4-yl]-1,3-oxazole is sourced from PubChem (CID 141088035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).