3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

C11H11F3N2O2 — CID 90926576

IUPAC3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNCc1cccc(C2=CC(O)(C(F)(F)F)ON2)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-2-7(4-8)6-15/h1-5,16-17H,6,15H2
InChIKeyPHVRGHRDSSOVNH-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.27
Rot. Bonds2

About 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol

3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (PubChem CID 90926576) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
PubChem CID90926576
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
SMILESNCc1cccc(C2=CC(O)(C(F)(F)F)ON2)c1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-2-7(4-8)6-15/h1-5,16-17H,6,15H2
InChIKeyPHVRGHRDSSOVNH-UHFFFAOYSA-N
XLogP1.27
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(Aminomethyl)phenyl)-5-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-5-ol
CID 90880431
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
3-(4-aminophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90717057
3-(3-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90726686
3-[4-(azidomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 90901408
3-[3-(azidomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 91056095
5-(1,1,2,2,2-pentafluoroethyl)-3-phenyl-2H-1,2-oxazol-5-ol
CID 91253890
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123323469
5-Methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123667564
3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 4145747
(5R)-3-(2-phenylethenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol
CID 7007216

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The IUPAC name of 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol (CID 90926576) is 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The canonical SMILES for 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is NCc1cccc(C2=CC(O)(C(F)(F)F)ON2)c1.
What is the InChIKey of 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
The InChIKey is PHVRGHRDSSOVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10(17)5-9(16-18-10)8-3-1-2-7(4-8)6-15/h1-5,16-17H,6,15H2.
What are the key properties of 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol?
3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol has a molecular weight of 260.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-5-ol is sourced from PubChem (CID 90926576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).