5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C22H17ClN2O3 — CID 9037022

IUPAC5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc2cc(/C=C(\Cl)c3nc(-c4ccccc4OC)no3)ccc2c1
InChIInChI=1S/C22H17ClN2O3/c1-26-17-10-9-15-11-14(7-8-16(15)13-17)12-19(23)22-24-21(25-28-22)18-5-3-4-6-20(18)27-2/h3-13H,1-2H3/b19-12-
InChIKeyMMWJUYYBAWNYOL-UNOMPAQXSA-N
MW392.84 g/mol
LogP5.64
Rot. Bonds5

About 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9037022) has the molecular formula C22H17ClN2O3 and a molecular weight of 392.84 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9037022
Molecular FormulaC22H17ClN2O3
Molecular Weight392.84 g/mol
Exact Mass392.09
IUPAC Name5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc2cc(/C=C(\Cl)c3nc(-c4ccccc4OC)no3)ccc2c1
InChIInChI=1S/C22H17ClN2O3/c1-26-17-10-9-15-11-14(7-8-16(15)13-17)12-19(23)22-24-21(25-28-22)18-5-3-4-6-20(18)27-2/h3-13H,1-2H3/b19-12-
InChIKeyMMWJUYYBAWNYOL-UNOMPAQXSA-N
XLogP5.64
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.84
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(Z)-1-chloro-2-phenylethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036804
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9036931
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435
5-[(Z)-1-chloro-2-thiophen-3-ylethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041444
N-[4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]phenyl]acetamide
CID 9041369
4-[(Z)-2-chloro-2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-nitrophenolate
CID 9041471
4-[(Z)-2-chloro-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenolate
CID 9037027
4-[(Z)-2-chloro-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]-2-methoxy-6-nitrophenol
CID 135574217
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-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037104
5-[(Z)-1-chloro-2-(4-fluorophenyl)ethenyl]-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9034304

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9037022) is 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc2cc(/C=C(\Cl)c3nc(-c4ccccc4OC)no3)ccc2c1.
What is the InChIKey of 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MMWJUYYBAWNYOL-UNOMPAQXSA-N. The full InChI is InChI=1S/C22H17ClN2O3/c1-26-17-10-9-15-11-14(7-8-16(15)13-17)12-19(23)22-24-21(25-28-22)18-5-3-4-6-20(18)27-2/h3-13H,1-2H3/b19-12-.
What are the key properties of 5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 392.84 g/mol, XLogP of 5.64, 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-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9037022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).