2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid

C16H11ClN2O4S — CID 45281715

About 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid

2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid (PubChem CID 45281715) has the molecular formula C16H11ClN2O4S and a molecular weight of 362.79 g/mol. Its IUPAC name is 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
• PubChem CID: 45281715
• Molecular Formula: C16H11ClN2O4S
• Molecular Weight: 362.79 g/mol
• Exact Mass: 362.01
• IUPAC Name: 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
• SMILES: O=C(O)COc1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1
• InChI: InChI=1S/C16H11ClN2O4S/c17-12(16-18-15(19-23-16)13-2-1-7-24-13)8-10-3-5-11(6-4-10)22-9-14(20)21/h1-8H,9H2,(H,20,21)/b12-8-
• InChIKey: OICCJIMJWFTBPX-WQLSENKSSA-N
• XLogP: 4.00
• TPSA: 85.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.79
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid?

The IUPAC name of 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid (CID 45281715) is 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid.

What is the SMILES notation for 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid?

The canonical SMILES for 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1.

What is the InChIKey of 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid?

The InChIKey is OICCJIMJWFTBPX-WQLSENKSSA-N. The full InChI is InChI=1S/C16H11ClN2O4S/c17-12(16-18-15(19-23-16)13-2-1-7-24-13)8-10-3-5-11(6-4-10)22-9-14(20)21/h1-8H,9H2,(H,20,21)/b12-8-.

What are the key properties of 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid?

2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid has a molecular weight of 362.79 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid is sourced from PubChem (CID 45281715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).