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

C10H9F2N3O2 — CID 66165264

IUPAC2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C10H9F2N3O2/c11-6-1-5(2-7(12)3-6)9-14-10(17-15-9)8(16)4-13/h1-3,8,16H,4,13H2
InChIKeyURGLDRFIPIYSQP-UHFFFAOYSA-N
MW241.20 g/mol
LogP1.01
Rot. Bonds3

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

2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66165264) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66165264
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C10H9F2N3O2/c11-6-1-5(2-7(12)3-6)9-14-10(17-15-9)8(16)4-13/h1-3,8,16H,4,13H2
InChIKeyURGLDRFIPIYSQP-UHFFFAOYSA-N
XLogP1.01
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66165264) is 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is NCC(O)c1nc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is URGLDRFIPIYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-6-1-5(2-7(12)3-6)9-14-10(17-15-9)8(16)4-13/h1-3,8,16H,4,13H2.
What are the key properties of 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 241.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66165264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).