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

C11H10F3N3O2 — CID 167046883

IUPAC(2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-1-6(2-4-7)9-16-10(19-17-9)8(15)5-18/h1-4,8,18H,5,15H2/t8-/m1/s1
InChIKeyFISIUBJVDZHVEJ-MRVPVSSYSA-N
MW273.21 g/mol
LogP1.75
Rot. Bonds3

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

(2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 167046883) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID167046883
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name(2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-1-6(2-4-7)9-16-10(19-17-9)8(15)5-18/h1-4,8,18H,5,15H2/t8-/m1/s1
InChIKeyFISIUBJVDZHVEJ-MRVPVSSYSA-N
XLogP1.75
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 167046883) is (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol is N[C@H](CO)c1nc(-c2ccc(C(F)(F)F)cc2)no1.
What is the InChIKey of (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is FISIUBJVDZHVEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-1-6(2-4-7)9-16-10(19-17-9)8(15)5-18/h1-4,8,18H,5,15H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol?
(2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 273.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 167046883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).