5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C16H15ClFN3O — CID 59262538

IUPAC5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N
InChIInChI=1S/C16H15ClFN3O/c1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11/h3-9H,1-2H3,(H2,19,20)
InChIKeyUTFQWVIXMLBARP-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.51
Rot. Bonds2

About 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 59262538) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID59262538
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N
InChIInChI=1S/C16H15ClFN3O/c1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11/h3-9H,1-2H3,(H2,19,20)
InChIKeyUTFQWVIXMLBARP-UHFFFAOYSA-N
XLogP3.51
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 59262538) is 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is CN1OC(C)(c2cccc(-c3ccc(F)c(Cl)c3)c2)N=C1N.
What is the InChIKey of 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is UTFQWVIXMLBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c1-16(20-15(19)21(2)22-16)12-5-3-4-10(8-12)11-6-7-14(18)13(17)9-11/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 319.77 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-4-fluorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 59262538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).