4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one

C11H6ClFN4O3 — CID 123514955

IUPAC4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN4O3/c1-5-9(15-20-14-5)10-16-19-11(18)17(10)6-2-3-8(13)7(12)4-6/h2-4H,1H3
InChIKeyRYQYMFWCLMFFGL-UHFFFAOYSA-N
MW296.65 g/mol
LogP1.98
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one

4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one (PubChem CID 123514955) has the molecular formula C11H6ClFN4O3 and a molecular weight of 296.65 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
PubChem CID123514955
Molecular FormulaC11H6ClFN4O3
Molecular Weight296.65 g/mol
Exact Mass296.01
IUPAC Name4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN4O3/c1-5-9(15-20-14-5)10-16-19-11(18)17(10)6-2-3-8(13)7(12)4-6/h2-4H,1H3
InChIKeyRYQYMFWCLMFFGL-UHFFFAOYSA-N
XLogP1.98
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.65
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one (CID 123514955) is 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one is Cc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The InChIKey is RYQYMFWCLMFFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O3/c1-5-9(15-20-14-5)10-16-19-11(18)17(10)6-2-3-8(13)7(12)4-6/h2-4H,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one has a molecular weight of 296.65 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-3-(4-methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 123514955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).