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

C12H8ClFN4O3 — CID 123290702

IUPAC4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClFN4O3/c1-2-9-10(16-21-15-9)11-17-20-12(19)18(11)6-3-4-8(14)7(13)5-6/h3-5H,2H2,1H3
InChIKeyDUPCAEQKZGYMRS-UHFFFAOYSA-N
MW310.67 g/mol
LogP2.23
Rot. Bonds3

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

4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one (PubChem CID 123290702) has the molecular formula C12H8ClFN4O3 and a molecular weight of 310.67 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
PubChem CID123290702
Molecular FormulaC12H8ClFN4O3
Molecular Weight310.67 g/mol
Exact Mass310.03
IUPAC Name4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one
SMILESCCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8ClFN4O3/c1-2-9-10(16-21-15-9)11-17-20-12(19)18(11)6-3-4-8(14)7(13)5-6/h3-5H,2H2,1H3
InChIKeyDUPCAEQKZGYMRS-UHFFFAOYSA-N
XLogP2.23
TPSA86.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.67
LogP ≤ 52.23
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-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one (CID 123290702) is 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-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-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one is CCc1nonc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
The InChIKey is DUPCAEQKZGYMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O3/c1-2-9-10(16-21-15-9)11-17-20-12(19)18(11)6-3-4-8(14)7(13)5-6/h3-5H,2H2,1H3.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one?
4-(3-chloro-4-fluorophenyl)-3-(4-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one has a molecular weight of 310.67 g/mol, XLogP of 2.23, 3 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-ethyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 123290702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).