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

C11H10F2N2O2 — CID 64559119

IUPAC1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C11H10F2N2O2/c1-6(16)11-14-10(15-17-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,16H,4H2,1H3
InChIKeyWOBYYOLYFLXZMN-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.99
Rot. Bonds3

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

1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 64559119) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID64559119
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C11H10F2N2O2/c1-6(16)11-14-10(15-17-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,16H,4H2,1H3
InChIKeyWOBYYOLYFLXZMN-UHFFFAOYSA-N
XLogP1.99
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 64559119) is 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(Cc2ccc(F)cc2F)no1.
What is the InChIKey of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is WOBYYOLYFLXZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-6(16)11-14-10(15-17-11)4-7-2-3-8(12)5-9(7)13/h2-3,5-6,16H,4H2,1H3.
What are the key properties of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 240.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 64559119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).