5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole

C16H13ClN2O3S — CID 9041444

IUPAC5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(/C(Cl)=C/c3ccsc3)n2)c(OC)c1
InChIInChI=1S/C16H13ClN2O3S/c1-20-11-3-4-12(14(8-11)21-2)15-18-16(22-19-15)13(17)7-10-5-6-23-9-10/h3-9H,1-2H3/b13-7-
InChIKeyFGGWTOSNQNSPDM-QPEQYQDCSA-N
MW348.81 g/mol
LogP4.55
Rot. Bonds5

About 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9041444) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID9041444
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(/C(Cl)=C/c3ccsc3)n2)c(OC)c1
InChIInChI=1S/C16H13ClN2O3S/c1-20-11-3-4-12(14(8-11)21-2)15-18-16(22-19-15)13(17)7-10-5-6-23-9-10/h3-9H,1-2H3/b13-7-
InChIKeyFGGWTOSNQNSPDM-QPEQYQDCSA-N
XLogP4.55
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435
N-[4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041369
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-nitrophenolate
CID 9041471
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022
5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-thiophen-3-ylacetate
CID 9417383
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036931
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole (CID 9041444) is 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(/C(Cl)=C/c3ccsc3)n2)c(OC)c1.
What is the InChIKey of 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is FGGWTOSNQNSPDM-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-20-11-3-4-12(14(8-11)21-2)15-18-16(22-19-15)13(17)7-10-5-6-23-9-10/h3-9H,1-2H3/b13-7-.
What are the key properties of 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 348.81 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9041444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).