3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole

C27H21N11O2S2 — CID 141133602

IUPAC3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole
SMILESc1cnnc(C2(C3=NCCO3)N(c3ccon3)N(c3ccsn3)C(c3ccc[nH]3)C2(c2cnccn2)c2nccs2)c1
InChIInChI=1S/C27H21N11O2S2/c1-3-18(29-7-1)23-26(25-32-12-16-41-25,20-17-28-9-10-30-20)27(24-31-11-14-39-24,19-4-2-8-33-34-19)38(21-5-13-40-35-21)37(23)22-6-15-42-36-22/h1-10,12-13,15-17,23,29H,11,14H2
InChIKeyQLPBQUFJVGXNIU-UHFFFAOYSA-N
MW595.67 g/mol
LogP3.79
Rot. Bonds7

About 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole

3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole (PubChem CID 141133602) has the molecular formula C27H21N11O2S2 and a molecular weight of 595.67 g/mol. Its IUPAC name is 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole
PubChem CID141133602
Molecular FormulaC27H21N11O2S2
Molecular Weight595.67 g/mol
Exact Mass595.13
IUPAC Name3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole
SMILESc1cnnc(C2(C3=NCCO3)N(c3ccon3)N(c3ccsn3)C(c3ccc[nH]3)C2(c2cnccn2)c2nccs2)c1
InChIInChI=1S/C27H21N11O2S2/c1-3-18(29-7-1)23-26(25-32-12-16-41-25,20-17-28-9-10-30-20)27(24-31-11-14-39-24,19-4-2-8-33-34-19)38(21-5-13-40-35-21)37(23)22-6-15-42-36-22/h1-10,12-13,15-17,23,29H,11,14H2
InChIKeyQLPBQUFJVGXNIU-UHFFFAOYSA-N
XLogP3.79
TPSA147.23 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.67
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole with MolForge

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Related Compounds

5-[3-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-5-(1,2-thiazol-3-yl)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylimidazolidin-4-yl]-3H-oxathiadiazole
CID 141031513
2-[1-(1,2-oxazol-3-yl)-3-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-(triazin-4-yl)-4-(2H-triazol-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 141429361

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole (CID 141133602) is 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole is c1cnnc(C2(C3=NCCO3)N(c3ccon3)N(c3ccsn3)C(c3ccc[nH]3)C2(c2cnccn2)c2nccs2)c1.
What is the InChIKey of 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole?
The InChIKey is QLPBQUFJVGXNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N11O2S2/c1-3-18(29-7-1)23-26(25-32-12-16-41-25,20-17-28-9-10-30-20)27(24-31-11-14-39-24,19-4-2-8-33-34-19)38(21-5-13-40-35-21)37(23)22-6-15-42-36-22/h1-10,12-13,15-17,23,29H,11,14H2.
What are the key properties of 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole?
3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole has a molecular weight of 595.67 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4,5-dihydro-1,3-oxazol-2-yl)-4-pyrazin-2-yl-5-pyridazin-3-yl-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,2-oxazole is sourced from PubChem (CID 141133602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).