3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

C10H9F3N2O2 — CID 90717057

IUPAC3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)5-8(15-17-9)6-1-3-7(14)4-2-6/h1-5,15-16H,14H2
InChIKeyMYOROHNJAGBCIJ-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.40
Rot. Bonds1

About 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 90717057) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID90717057
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC Name3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)5-8(15-17-9)6-1-3-7(14)4-2-6/h1-5,15-16H,14H2
InChIKeyMYOROHNJAGBCIJ-UHFFFAOYSA-N
XLogP1.40
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-(Aminomethyl)phenyl)-5-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-5-ol
CID 90880431
(E)-1,1,1-trifluoro-4-(4-nitrophenyl)but-3-en-2-ol
CID 15402071
3-(4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4079470
3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 5056306
Benzenamine, N-hydroxy-4-(trifluoromethyl)-
CID 11966626
N-methoxy-4-(trifluoromethyl)aniline
CID 23340609
N-[4-(2,2,2-trifluoroethyl)phenyl]hydroxylamine
CID 59694264
3-(3-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90726686
3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90926576
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
CID 91253890
azane;molecular hydrogen;N-[4-(trifluoromethyl)phenyl]hydroxylamine
CID 142493523
N-[4-(1,1-difluoropropyl)phenyl]hydroxylamine
CID 147278596

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 90717057) is 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is Nc1ccc(C2=CC(O)(C(F)(F)F)ON2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is MYOROHNJAGBCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)9(16)5-8(15-17-9)6-1-3-7(14)4-2-6/h1-5,15-16H,14H2.
What are the key properties of 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 246.19 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 90717057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).