2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole

C17H10ClFN4O2 — CID 53153603

IUPAC2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)c1
InChIInChI=1S/C17H10ClFN4O2/c18-12-6-4-10(5-7-12)17-22-21-15(24-17)9-14-20-16(23-25-14)11-2-1-3-13(19)8-11/h1-8H,9H2
InChIKeyXKEJULQLLMIWHX-UHFFFAOYSA-N
MW356.74 g/mol
LogP4.17
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 53153603) has the molecular formula C17H10ClFN4O2 and a molecular weight of 356.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID53153603
Molecular FormulaC17H10ClFN4O2
Molecular Weight356.74 g/mol
Exact Mass356.05
IUPAC Name2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESFc1cccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)c1
InChIInChI=1S/C17H10ClFN4O2/c18-12-6-4-10(5-7-12)17-22-21-15(24-17)9-14-20-16(23-25-14)11-2-1-3-13(19)8-11/h1-8H,9H2
InChIKeyXKEJULQLLMIWHX-UHFFFAOYSA-N
XLogP4.17
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153580
2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153727
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153712
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53153654
2-(3,5-difluorophenyl)-5-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153729
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
2-(4-fluorophenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153663
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 53153690
2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (CID 53153603) is 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is Fc1cccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is XKEJULQLLMIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4O2/c18-12-6-4-10(5-7-12)17-22-21-15(24-17)9-14-20-16(23-25-14)11-2-1-3-13(19)8-11/h1-8H,9H2.
What are the key properties of 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 356.74 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).