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

C17H15ClN2O4S — CID 9031343

IUPAC2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C(Cl)=C/c3cccs3)o2)cc(OC)c1OC
InChIInChI=1S/C17H15ClN2O4S/c1-21-13-7-10(8-14(22-2)15(13)23-3)16-19-20-17(24-16)12(18)9-11-5-4-6-25-11/h4-9H,1-3H3/b12-9-
InChIKeyMBLONYVZBPPEMI-XFXZXTDPSA-N
MW378.84 g/mol
LogP4.56
Rot. Bonds6

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

2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 9031343) has the molecular formula C17H15ClN2O4S and a molecular weight of 378.84 g/mol. Its IUPAC name is 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID9031343
Molecular FormulaC17H15ClN2O4S
Molecular Weight378.84 g/mol
Exact Mass378.04
IUPAC Name2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnc(/C(Cl)=C/c3cccs3)o2)cc(OC)c1OC
InChIInChI=1S/C17H15ClN2O4S/c1-21-13-7-10(8-14(22-2)15(13)23-3)16-19-20-17(24-16)12(18)9-11-5-4-6-25-11/h4-9H,1-3H3/b12-9-
InChIKeyMBLONYVZBPPEMI-XFXZXTDPSA-N
XLogP4.56
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.84
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(Z)-1-chloro-2-(3-chlorophenyl)ethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 9031366
4-[(Z)-2-chloro-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]ethenyl]benzonitrile
CID 9031386
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
2-thiophen-2-yl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 30515129
trimethyl-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]silane
CID 16767601
1-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 16536555
2-naphthalen-1-yl-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 2517988
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-1,3-benzoxazole
CID 9038828
N-(3-cyanothiophen-2-yl)-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 16536549
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3708224
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 5-chlorothiophene-2-carboxylate
CID 7146445

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 9031343) is 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnc(/C(Cl)=C/c3cccs3)o2)cc(OC)c1OC.
What is the InChIKey of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is MBLONYVZBPPEMI-XFXZXTDPSA-N. The full InChI is InChI=1S/C17H15ClN2O4S/c1-21-13-7-10(8-14(22-2)15(13)23-3)16-19-20-17(24-16)12(18)9-11-5-4-6-25-11/h4-9H,1-3H3/b12-9-.
What are the key properties of 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 378.84 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 9031343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).