5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole

C17H12ClFN4O — CID 53030909

IUPAC5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21
InChIInChI=1S/C17H12ClFN4O/c1-2-23-9-20-14-8-10(4-6-15(14)23)16-21-17(24-22-16)11-3-5-13(19)12(18)7-11/h3-9H,2H2,1H3
InChIKeyVUFWYXMLEBUAPA-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.57
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole

5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (PubChem CID 53030909) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
PubChem CID53030909
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
SMILESCCn1cnc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21
InChIInChI=1S/C17H12ClFN4O/c1-2-23-9-20-14-8-10(4-6-15(14)23)16-21-17(24-22-16)11-3-5-13(19)12(18)7-11/h3-9H,2H2,1H3
InChIKeyVUFWYXMLEBUAPA-UHFFFAOYSA-N
XLogP4.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030877
5-(5-bromofuran-2-yl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030861
5-(2-fluorophenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030953
5-(2-ethoxyphenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030882
5-(4-ethoxyphenyl)-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030936
4-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106524721
5-[(4-chlorophenoxy)methyl]-3-(1-propylbenzimidazol-5-yl)-1,2,4-oxadiazole
CID 53030938
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811657
5-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259997
3-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63092079
3-[5-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031784
7-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propan-2-yl-1H-quinoxaline-2,3-dione
CID 53005967

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole (CID 53030909) is 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is CCn1cnc2cc(-c3noc(-c4ccc(F)c(Cl)c4)n3)ccc21.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is VUFWYXMLEBUAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c1-2-23-9-20-14-8-10(4-6-15(14)23)16-21-17(24-22-16)11-3-5-13(19)12(18)7-11/h3-9H,2H2,1H3.
What are the key properties of 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole?
5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 342.76 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-3-(1-ethylbenzimidazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 53030909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).