2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

C23H16N8O2S2 — CID 141403956

IUPAC2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(N2N(c3ncc[nH]3)C(c3ncco3)=C(c3ccon3)C2(c2ccsn2)c2cccs2)c1
InChIInChI=1S/C23H16N8O2S2/c1-4-18(24-7-1)31-23(16-6-14-35-29-16,17-3-2-13-34-17)19(15-5-11-33-28-15)20(21-25-10-12-32-21)30(31)22-26-8-9-27-22/h1-14,24H,(H,26,27)
InChIKeyNKJKKMIPCSBAHP-UHFFFAOYSA-N
MW500.57 g/mol
LogP4.99
Rot. Bonds6

About 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole

2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (PubChem CID 141403956) has the molecular formula C23H16N8O2S2 and a molecular weight of 500.57 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
PubChem CID141403956
Molecular FormulaC23H16N8O2S2
Molecular Weight500.57 g/mol
Exact Mass500.08
IUPAC Name2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
SMILESc1c[nH]c(N2N(c3ncc[nH]3)C(c3ncco3)=C(c3ccon3)C2(c2ccsn2)c2cccs2)c1
InChIInChI=1S/C23H16N8O2S2/c1-4-18(24-7-1)31-23(16-6-14-35-29-16,17-3-2-13-34-17)19(15-5-11-33-28-15)20(21-25-10-12-32-21)30(31)22-26-8-9-27-22/h1-14,24H,(H,26,27)
InChIKeyNKJKKMIPCSBAHP-UHFFFAOYSA-N
XLogP4.99
TPSA115.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.57
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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-[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
2-[5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazol-1-yl]-1,3-oxazole
CID 140970264
2-[3-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-2-thiophen-2-yl-3H-pyrazol-5-yl]-1,3-oxazole
CID 140973569
2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
2-[5-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-5-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-1-yl]-1,3-oxazole
CID 140993319
2-[5-(furan-2-yl)-5-(1,2-oxazol-3-yl)-2-(1H-pyrrol-2-yl)-4-(1,3-thiazol-2-yl)-1-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole
CID 140997560
2-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-4-pyrazin-2-yl-3-pyridazin-3-yl-5-pyrimidin-2-yl-1-(1,2-thiazol-3-yl)-2-(1,3-thiazol-2-yl)pyrazolidin-4-yl]-1,3-oxazole
CID 141008871
2-[6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-5-yl)-6-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)-1H-pyrazin-3-yl]-1,3-oxazole
CID 141010158
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
3-[3-(furan-2-yl)-5-(1H-imidazol-2-yl)-1-pyrrolidin-1-yl-2-(1H-pyrrol-2-yl)-4-thiophen-2-yltriazolidin-4-yl]-1,2-oxazole
CID 141027264

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole?
The IUPAC name of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole (CID 141403956) is 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is c1c[nH]c(N2N(c3ncc[nH]3)C(c3ncco3)=C(c3ccon3)C2(c2ccsn2)c2cccs2)c1.
What is the InChIKey of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole?
The InChIKey is NKJKKMIPCSBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N8O2S2/c1-4-18(24-7-1)31-23(16-6-14-35-29-16,17-3-2-13-34-17)19(15-5-11-33-28-15)20(21-25-10-12-32-21)30(31)22-26-8-9-27-22/h1-14,24H,(H,26,27).
What are the key properties of 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole?
2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole has a molecular weight of 500.57 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-2-yl)-4-(1,2-oxazol-3-yl)-1-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-5-thiophen-2-ylpyrazol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141403956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).