2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol

C13H16FN3O2 — CID 66165068

IUPAC2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(c1ccc(F)cc1)c1noc(C(O)CN)n1
InChIInChI=1S/C13H16FN3O2/c1-13(2,8-3-5-9(14)6-4-8)12-16-11(19-17-12)10(18)7-15/h3-6,10,18H,7,15H2,1-2H3
InChIKeyJZXUEEWHGKQIAV-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol

2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66165068) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66165068
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(C)(c1ccc(F)cc1)c1noc(C(O)CN)n1
InChIInChI=1S/C13H16FN3O2/c1-13(2,8-3-5-9(14)6-4-8)12-16-11(19-17-12)10(18)7-15/h3-6,10,18H,7,15H2,1-2H3
InChIKeyJZXUEEWHGKQIAV-UHFFFAOYSA-N
XLogP1.53
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol (CID 66165068) is 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol is CC(C)(c1ccc(F)cc1)c1noc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JZXUEEWHGKQIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-13(2,8-3-5-9(14)6-4-8)12-16-11(19-17-12)10(18)7-15/h3-6,10,18H,7,15H2,1-2H3.
What are the key properties of 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 265.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66165068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).