5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole

C19H17ClN2O4 — CID 9038059

IUPAC5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C19H17ClN2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14(20)19-21-18(22-26-19)13-7-5-4-6-8-13/h4-11H,1-3H3/b14-9-
InChIKeyPZVNVIZBECVCAD-ZROIWOOFSA-N
MW372.81 g/mol
LogP4.50
Rot. Bonds6

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

5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 9038059) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID9038059
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC Name5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCOc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(OC)c1OC
InChIInChI=1S/C19H17ClN2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14(20)19-21-18(22-26-19)13-7-5-4-6-8-13/h4-11H,1-3H3/b14-9-
InChIKeyPZVNVIZBECVCAD-ZROIWOOFSA-N
XLogP4.50
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-chloro-4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-6-methoxyphenol
CID 135574251
5-[(Z)-1-chloro-2-phenylethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038019
4-[(Z)-2-chloro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethenyl]-2,6-dimethylphenol
CID 135574248
(3-phenyl-1,2,4-oxadiazol-5-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 127036065
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole
CID 9038106
5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
5-phenyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 4544688
5-[(Z)-1-chloro-2-(4-methoxyphenyl)ethenyl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 9041072
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
5-[(Z)-1-chloro-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035696
5-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034304
2-[(Z)-1-chloro-2-(3-chloro-4,5-dimethoxyphenyl)ethenyl]-5-phenyl-1,3-oxazole
CID 8814994

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole (CID 9038059) is 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole is COc1cc(/C=C(\Cl)c2nc(-c3ccccc3)no2)cc(OC)c1OC.
What is the InChIKey of 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is PZVNVIZBECVCAD-ZROIWOOFSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-23-15-10-12(11-16(24-2)17(15)25-3)9-14(20)19-21-18(22-26-19)13-7-5-4-6-8-13/h4-11H,1-3H3/b14-9-.
What are the key properties of 5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 372.81 g/mol, XLogP of 4.50, 6 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-(3,4,5-trimethoxyphenyl)ethenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 9038059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).