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

C21H14F3N3O2 — CID 137028414

IUPAC4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccc(C(F)(F)F)cc4)cc3)no2)cc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-5-9-17(10-6-15)25-16-7-1-13(2-8-16)19-26-20(29-27-19)14-3-11-18(28)12-4-14/h1-12,25,28H
InChIKeyXRUYCPSHQWPOHP-UHFFFAOYSA-N
MW397.36 g/mol
LogP5.87
Rot. Bonds4

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

4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028414) has the molecular formula C21H14F3N3O2 and a molecular weight of 397.36 g/mol. Its IUPAC name is 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028414
Molecular FormulaC21H14F3N3O2
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(Nc4ccc(C(F)(F)F)cc4)cc3)no2)cc1
InChIInChI=1S/C21H14F3N3O2/c22-21(23,24)15-5-9-17(10-6-15)25-16-7-1-13(2-8-16)19-26-20(29-27-19)14-3-11-18(28)12-4-14/h1-12,25,28H
InChIKeyXRUYCPSHQWPOHP-UHFFFAOYSA-N
XLogP5.87
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.36
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 135800177
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4899129
3-[4-[4-(Trifluoromethyl)phenoxy]phenyl]-5-(4-aminophenyl)-1,2,4-oxadiazole
CID 25254493
2-Fluoro-4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]aniline
CID 118730561
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 118730576
2-Amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136961500
4-[3-(4-Anilinophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028381
4-[3-(4-Aminophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028426
2,2,2-Trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
CID 171520174
4-fluoro-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747825
Antibacterial agent 198
CID 118730431

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol (CID 137028414) is 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc(Nc4ccc(C(F)(F)F)cc4)cc3)no2)cc1.
What is the InChIKey of 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XRUYCPSHQWPOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2/c22-21(23,24)15-5-9-17(10-6-15)25-16-7-1-13(2-8-16)19-26-20(29-27-19)14-3-11-18(28)12-4-14/h1-12,25,28H.
What are the key properties of 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 397.36 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[4-(trifluoromethyl)anilino]phenyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).