5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one

C15H10F3N3O2 — CID 66969270

IUPAC5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
SMILESNc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)o2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(22)23-13(20-21)9-1-5-11(19)6-2-9/h1-8H,19H2
InChIKeyHOISRTJWIVALLE-UHFFFAOYSA-N
MW321.26 g/mol
LogP3.09
Rot. Bonds2

About 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one

5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one (PubChem CID 66969270) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
PubChem CID66969270
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
SMILESNc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)o2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(22)23-13(20-21)9-1-5-11(19)6-2-9/h1-8H,19H2
InChIKeyHOISRTJWIVALLE-UHFFFAOYSA-N
XLogP3.09
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one (CID 66969270) is 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is Nc1ccc(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)o2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
The InChIKey is HOISRTJWIVALLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-7-12(8-4-10)21-14(22)23-13(20-21)9-1-5-11(19)6-2-9/h1-8H,19H2.
What are the key properties of 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one?
5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one has a molecular weight of 321.26 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 66969270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).