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

C21H14ClFN2O3 — CID 9037104

IUPAC5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(/C(Cl)=C/c2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C21H14ClFN2O3/c1-26-18-9-5-3-7-15(18)20-24-21(28-25-20)16(22)12-13-10-11-19(27-13)14-6-2-4-8-17(14)23/h2-12H,1H3/b16-12-
InChIKeyMDIXYFCZPZFRMJ-VBKFSLOCSA-N
MW396.81 g/mol
LogP5.88
Rot. Bonds5

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

5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 9037104) has the molecular formula C21H14ClFN2O3 and a molecular weight of 396.81 g/mol. Its IUPAC name is 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID9037104
Molecular FormulaC21H14ClFN2O3
Molecular Weight396.81 g/mol
Exact Mass396.07
IUPAC Name5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(/C(Cl)=C/c2ccc(-c3ccccc3F)o2)n1
InChIInChI=1S/C21H14ClFN2O3/c1-26-18-9-5-3-7-15(18)20-24-21(28-25-20)16(22)12-13-10-11-19(27-13)14-6-2-4-8-17(14)23/h2-12H,1H3/b16-12-
InChIKeyMDIXYFCZPZFRMJ-VBKFSLOCSA-N
XLogP5.88
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.81
LogP ≤ 55.88
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-(6-methoxynaphthalen-2-yl)ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9037022
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-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-(2-methoxyphenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773034
3-(2-methoxyphenyl)-5-(1,3-oxazol-5-yl)-1,2,4-oxadiazole
CID 99963060
[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-(2-fluorophenyl)furan-2-carboxylate
CID 46812992
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084276
(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839852
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 79344481

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 9037104) is 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1ccccc1-c1noc(/C(Cl)=C/c2ccc(-c3ccccc3F)o2)n1.
What is the InChIKey of 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is MDIXYFCZPZFRMJ-VBKFSLOCSA-N. The full InChI is InChI=1S/C21H14ClFN2O3/c1-26-18-9-5-3-7-15(18)20-24-21(28-25-20)16(22)12-13-10-11-19(27-13)14-6-2-4-8-17(14)23/h2-12H,1H3/b16-12-.
What are the key properties of 5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-[(Z)-1-chloro-2-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 396.81 g/mol, XLogP of 5.88, 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-[5-(2-fluorophenyl)furan-2-yl]ethenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 9037104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).