5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol

C22H16ClF3N4O2S — CID 123541684

About 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol

5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol (PubChem CID 123541684) has the molecular formula C22H16ClF3N4O2S and a molecular weight of 492.91 g/mol. Its IUPAC name is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol.

Molecular Properties

• Compound Name: 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol
• PubChem CID: 123541684
• Molecular Formula: C22H16ClF3N4O2S
• Molecular Weight: 492.91 g/mol
• Exact Mass: 492.06
• IUPAC Name: 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol
• SMILES: Oc1nc(N2CCCO2)sc1C(=Cc1ccc(Cl)cc1C(F)(F)F)c1ccc2[nH]ncc2c1
• InChI: InChI=1S/C22H16ClF3N4O2S/c23-15-4-2-13(17(10-15)22(24,25)26)9-16(12-3-5-18-14(8-12)11-27-29-18)19-20(31)28-21(33-19)30-6-1-7-32-30/h2-5,8-11,31H,1,6-7H2,(H,27,29)
• InChIKey: XFAXSRSIRJELAP-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 74.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.91
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol?

The IUPAC name of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol (CID 123541684) is 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol.

What is the SMILES notation for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol?

The canonical SMILES for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol is Oc1nc(N2CCCO2)sc1C(=Cc1ccc(Cl)cc1C(F)(F)F)c1ccc2[nH]ncc2c1.

What is the InChIKey of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol?

The InChIKey is XFAXSRSIRJELAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O2S/c23-15-4-2-13(17(10-15)22(24,25)26)9-16(12-3-5-18-14(8-12)11-27-29-18)19-20(31)28-21(33-19)30-6-1-7-32-30/h2-5,8-11,31H,1,6-7H2,(H,27,29).

What are the key properties of 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol?

5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol has a molecular weight of 492.91 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1H-indazol-5-yl)ethenyl]-2-(1,2-oxazolidin-2-yl)-1,3-thiazol-4-ol is sourced from PubChem (CID 123541684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).