5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C18H15ClN2O2 — CID 9036931

IUPAC5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(/C(Cl)=C/c2cccc(C)c2)n1
InChIInChI=1S/C18H15ClN2O2/c1-12-6-5-7-13(10-12)11-15(19)18-20-17(21-23-18)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3/b15-11-
InChIKeyRUKBDXKELDFUEC-PTNGSMBKSA-N
MW326.78 g/mol
LogP4.79
Rot. Bonds4

About 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9036931) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9036931
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(/C(Cl)=C/c2cccc(C)c2)n1
InChIInChI=1S/C18H15ClN2O2/c1-12-6-5-7-13(10-12)11-15(19)18-20-17(21-23-18)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3/b15-11-
InChIKeyRUKBDXKELDFUEC-PTNGSMBKSA-N
XLogP4.79
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-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

5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
4-[(Z)-2-chloro-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenol
CID 135574217
4-[(Z)-2-chloro-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenolate
CID 9037027
5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037104
3-[(Z)-2-chloro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenol
CID 9036620
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038059
5-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034304
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041444

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9036931) is 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(/C(Cl)=C/c2cccc(C)c2)n1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is RUKBDXKELDFUEC-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-12-6-5-7-13(10-12)11-15(19)18-20-17(21-23-18)14-8-3-4-9-16(14)22-2/h3-11H,1-2H3/b15-11-.
What are the key properties of 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 326.78 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).