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

C10H9ClFN3O2 — CID 104633198

IUPAC2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2/c11-6-3-1-2-5(8(6)12)10-14-9(15-17-10)7(13)4-16/h1-3,7,16H,4,13H2
InChIKeyCPJGRFNHTZNBBV-UHFFFAOYSA-N
MW257.65 g/mol
LogP1.52
Rot. Bonds3

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

2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633198) has the molecular formula C10H9ClFN3O2 and a molecular weight of 257.65 g/mol. Its IUPAC name is 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633198
Molecular FormulaC10H9ClFN3O2
Molecular Weight257.65 g/mol
Exact Mass257.04
IUPAC Name2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2cccc(Cl)c2F)n1
InChIInChI=1S/C10H9ClFN3O2/c11-6-3-1-2-5(8(6)12)10-14-9(15-17-10)7(13)4-16/h1-3,7,16H,4,13H2
InChIKeyCPJGRFNHTZNBBV-UHFFFAOYSA-N
XLogP1.52
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.65
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633198) is 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2cccc(Cl)c2F)n1.
What is the InChIKey of 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is CPJGRFNHTZNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O2/c11-6-3-1-2-5(8(6)12)10-14-9(15-17-10)7(13)4-16/h1-3,7,16H,4,13H2.
What are the key properties of 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 257.65 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).