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

C24H17N9O2S — CID 141036358

IUPAC2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole
SMILESc1c[nH]c(N2C(c3ccon3)=C(c3ccsn3)C(c3ccn[nH]3)=C(c3ncco3)C2c2ncc[nH]2)c1
InChIInChI=1S/C24H17N9O2S/c1-2-17(25-6-1)33-21(16-4-11-35-31-16)19(15-5-13-36-32-15)18(14-3-7-29-30-14)20(24-28-10-12-34-24)22(33)23-26-8-9-27-23/h1-13,22,25H,(H,26,27)(H,29,30)
InChIKeyXCQKIWIMZWQJAA-UHFFFAOYSA-N
MW495.53 g/mol
LogP4.63
Rot. Bonds6

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

2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole (PubChem CID 141036358) has the molecular formula C24H17N9O2S and a molecular weight of 495.53 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole
PubChem CID141036358
Molecular FormulaC24H17N9O2S
Molecular Weight495.53 g/mol
Exact Mass495.12
IUPAC Name2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole
SMILESc1c[nH]c(N2C(c3ccon3)=C(c3ccsn3)C(c3ccn[nH]3)=C(c3ncco3)C2c2ncc[nH]2)c1
InChIInChI=1S/C24H17N9O2S/c1-2-17(25-6-1)33-21(16-4-11-35-31-16)19(15-5-13-36-32-15)18(14-3-7-29-30-14)20(24-28-10-12-34-24)22(33)23-26-8-9-27-23/h1-13,22,25H,(H,26,27)(H,29,30)
InChIKeyXCQKIWIMZWQJAA-UHFFFAOYSA-N
XLogP4.63
TPSA141.34 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

furan;2-(furan-2-yl)-3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,2-oxazole;1H-imidazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;thiophene
CID 67212847
2-[3-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)furan-2-yl]-1,3-oxazole
CID 140993856
2-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-4-(2H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-1,3-oxazolidine
CID 141008189
2-[1-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazolidin-2-yl]-1,3-oxazole
CID 141051021
2-[1-(furan-2-yl)-6-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1,2-thiazol-3-yl)-2H-pyrazin-2-yl]-1,3-oxazole
CID 141063728
2-[1-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-3-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)imidazol-2-yl]-1,3-oxazole
CID 141084269
2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-2-(1H-pyrazol-5-yl)-4-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2H-pyridin-6-yl]-1,3-oxazole
CID 141088926
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
4-[4-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-6-(thiadiazol-4-yl)-2-(2H-triazol-4-yl)-4H-pyrimidin-1-yl]oxadiazole
CID 141148091
2-[1-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-3H-thiadiazol-5-yl]-1,3-oxazole
CID 141192975
2-[2-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-1-(1,3-thiazol-2-yl)-4H-pyrimidin-6-yl]-1,3-oxazole
CID 141213196
2-[4-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-5-(1,3-thiazol-2-yl)pyrazin-2-yl]-1,3-oxazole
CID 141266509

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole (CID 141036358) is 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole is c1c[nH]c(N2C(c3ccon3)=C(c3ccsn3)C(c3ccn[nH]3)=C(c3ncco3)C2c2ncc[nH]2)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole?
The InChIKey is XCQKIWIMZWQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N9O2S/c1-2-17(25-6-1)33-21(16-4-11-35-31-16)19(15-5-13-36-32-15)18(14-3-7-29-30-14)20(24-28-10-12-34-24)22(33)23-26-8-9-27-23/h1-13,22,25H,(H,26,27)(H,29,30).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole has a molecular weight of 495.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-2H-pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 141036358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).