5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

C16H13ClN2O2S — CID 9037538

IUPAC5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-2-20-12-7-5-11(6-8-12)10-13(17)16-18-15(19-21-16)14-4-3-9-22-14/h3-10H,2H2,1H3/b13-10-
InChIKeyKPYQCKTWRGWAHS-RAXLEYEMSA-N
MW332.81 g/mol
LogP4.93
Rot. Bonds5

About 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 9037538) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID9037538
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-2-20-12-7-5-11(6-8-12)10-13(17)16-18-15(19-21-16)14-4-3-9-22-14/h3-10H,2H2,1H3/b13-10-
InChIKeyKPYQCKTWRGWAHS-RAXLEYEMSA-N
XLogP4.93
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
CID 9037516
3-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenol
CID 9037543
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]-2-methoxyphenoxy]acetonitrile
CID 9037579
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-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435
(E)-3-(4-ethoxy-3-methoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 9212650
5-[(Z)-1-chloro-2-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037631
5-[1-(4-ethoxyphenoxy)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 78853239
5-[(Z)-1-chloro-2-(4-chloro-3-nitrophenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037548
5-[5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332854

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 9037538) is 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is CCOc1ccc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is KPYQCKTWRGWAHS-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-2-20-12-7-5-11(6-8-12)10-13(17)16-18-15(19-21-16)14-4-3-9-22-14/h3-10H,2H2,1H3/b13-10-.
What are the key properties of 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 332.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 9037538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).