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

C27H18N10O2S2 — CID 141099595

About 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

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 (PubChem CID 141099595) has the molecular formula C27H18N10O2S2 and a molecular weight of 578.64 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 141099595
• Molecular Formula: C27H18N10O2S2
• Molecular Weight: 578.64 g/mol
• Exact Mass: 578.11
• IUPAC Name: 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
• SMILES: c1c[nH]c(C2(c3ccn[nH]3)C(c3ncc[nH]3)=C(c3ccsn3)C(c3nccs3)=C(c3ccon3)N2c2ncco2)c1
• InChI: InChI=1S/C27H18N10O2S2/c1-2-18(28-6-1)27(19-3-7-33-34-19)22(24-29-8-9-30-24)20(16-5-14-41-36-16)21(25-31-11-15-40-25)23(17-4-12-39-35-17)37(27)26-32-10-13-38-26/h1-15,28H,(H,29,30)(H,33,34)
• InChIKey: GVTKSXSHVXGQQU-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 154.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	578.64
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1c[nH]c(C2(c3ccn[nH]3)C(c3ncc[nH]3)=C(c3ccsn3)C(c3nccs3)=C(c3ccon3)N2c2ncco2)c1.

What is the InChIKey of 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?

The InChIKey is GVTKSXSHVXGQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N10O2S2/c1-2-18(28-6-1)27(19-3-7-33-34-19)22(24-29-8-9-30-24)20(16-5-14-41-36-16)21(25-31-11-15-40-25)23(17-4-12-39-35-17)37(27)26-32-10-13-38-26/h1-15,28H,(H,29,30)(H,33,34).

What are the key properties of 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?

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 has a molecular weight of 578.64 g/mol, XLogP of 5.29, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 141099595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).