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

C18H12ClFN4O3 — CID 53153727

IUPAC2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1F
InChIInChI=1S/C18H12ClFN4O3/c1-25-14-6-5-10(8-13(14)20)17-21-15(27-24-17)9-16-22-23-18(26-16)11-3-2-4-12(19)7-11/h2-8H,9H2,1H3
InChIKeyJRICXXDMDHBFAQ-UHFFFAOYSA-N
MW386.77 g/mol
LogP4.18
Rot. Bonds5

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

2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (PubChem CID 53153727) has the molecular formula C18H12ClFN4O3 and a molecular weight of 386.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
PubChem CID53153727
Molecular FormulaC18H12ClFN4O3
Molecular Weight386.77 g/mol
Exact Mass386.06
IUPAC Name2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1F
InChIInChI=1S/C18H12ClFN4O3/c1-25-14-6-5-10(8-13(14)20)17-21-15(27-24-17)9-16-22-23-18(26-16)11-3-2-4-12(19)7-11/h2-8H,9H2,1H3
InChIKeyJRICXXDMDHBFAQ-UHFFFAOYSA-N
XLogP4.18
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
5-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazole
CID 50838707
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-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153603
2-[[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 53153695
2-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153646
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 53153686
2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650
2-(4-chlorophenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153712
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153647
2-[[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 53153654

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole (CID 53153727) is 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is COc1ccc(-c2noc(Cc3nnc(-c4cccc(Cl)c4)o3)n2)cc1F.
What is the InChIKey of 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is JRICXXDMDHBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4O3/c1-25-14-6-5-10(8-13(14)20)17-21-15(27-24-17)9-16-22-23-18(26-16)11-3-2-4-12(19)7-11/h2-8H,9H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole?
2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 386.77 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).