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

C15H9ClN2O3S — CID 9037516

IUPAC4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H9ClN2O3S/c16-11(8-9-3-5-10(6-4-9)15(19)20)14-17-13(18-21-14)12-2-1-7-22-12/h1-8H,(H,19,20)/b11-8-
InChIKeyKOGRJWIKSDLASK-FLIBITNWSA-N
MW332.77 g/mol
LogP4.23
Rot. Bonds4

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

4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid (PubChem CID 9037516) has the molecular formula C15H9ClN2O3S and a molecular weight of 332.77 g/mol. Its IUPAC name is 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
PubChem CID9037516
Molecular FormulaC15H9ClN2O3S
Molecular Weight332.77 g/mol
Exact Mass332.00
IUPAC Name4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
SMILESO=C(O)c1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C15H9ClN2O3S/c16-11(8-9-3-5-10(6-4-9)15(19)20)14-17-13(18-21-14)12-2-1-7-22-12/h1-8H,(H,19,20)/b11-8-
InChIKeyKOGRJWIKSDLASK-FLIBITNWSA-N
XLogP4.23
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid with MolForge

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Related Compounds

2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
CID 45281715
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037538
3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
CID 9037543
5-[(Z)-1-chloro-2-(4-chloro-3-nitrophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037548
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9037579
(E)-3-(4-hydroxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 135577056
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037631
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid?
The IUPAC name of 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid (CID 9037516) is 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid?
The canonical SMILES for 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid is O=C(O)c1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid?
The InChIKey is KOGRJWIKSDLASK-FLIBITNWSA-N. The full InChI is InChI=1S/C15H9ClN2O3S/c16-11(8-9-3-5-10(6-4-9)15(19)20)14-17-13(18-21-14)12-2-1-7-22-12/h1-8H,(H,19,20)/b11-8-.
What are the key properties of 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid?
4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid has a molecular weight of 332.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid is sourced from PubChem (CID 9037516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).