3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine

C10H9ClFN3O — CID 63086856

IUPAC3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C10H9ClFN3O/c1-2-13-10-14-9(15-16-10)6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyABWFRTGSKINMJL-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.96
Rot. Bonds3

About 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine

3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine (PubChem CID 63086856) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine
PubChem CID63086856
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine
SMILESCCNc1nc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C10H9ClFN3O/c1-2-13-10-14-9(15-16-10)6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3,(H,13,14,15)
InChIKeyABWFRTGSKINMJL-UHFFFAOYSA-N
XLogP2.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine (CID 63086856) is 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine is CCNc1nc(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
The InChIKey is ABWFRTGSKINMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-2-13-10-14-9(15-16-10)6-3-4-8(12)7(11)5-6/h3-5H,2H2,1H3,(H,13,14,15).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine?
3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine has a molecular weight of 241.65 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-ethyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 63086856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).