4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol

C15H10F3N3O2 — CID 118611367

IUPAC4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-1-9(2-4-10)13-20-21-14(23-13)19-11-5-7-12(22)8-6-11/h1-8,22H,(H,19,21)
InChIKeyUTESOSPZTBWDKA-UHFFFAOYSA-N
MW321.26 g/mol
LogP4.20
Rot. Bonds3

About 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol

4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (PubChem CID 118611367) has the molecular formula C15H10F3N3O2 and a molecular weight of 321.26 g/mol. Its IUPAC name is 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
PubChem CID118611367
Molecular FormulaC15H10F3N3O2
Molecular Weight321.26 g/mol
Exact Mass321.07
IUPAC Name4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol
SMILESOc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-1-9(2-4-10)13-20-21-14(23-13)19-11-5-7-12(22)8-6-11/h1-8,22H,(H,19,21)
InChIKeyUTESOSPZTBWDKA-UHFFFAOYSA-N
XLogP4.20
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The IUPAC name of 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol (CID 118611367) is 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol.
What is the SMILES notation for 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The canonical SMILES for 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is Oc1ccc(Nc2nnc(-c3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
The InChIKey is UTESOSPZTBWDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2/c16-15(17,18)10-3-1-9(2-4-10)13-20-21-14(23-13)19-11-5-7-12(22)8-6-11/h1-8,22H,(H,19,21).
What are the key properties of 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol?
4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol has a molecular weight of 321.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]amino]phenol is sourced from PubChem (CID 118611367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).