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

C10H8F2N2O2 — CID 102660677

IUPAC1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H8F2N2O2/c1-5(15)9-13-10(16-14-9)7-3-2-6(11)4-8(7)12/h2-5,15H,1H3
InChIKeyXRAKVOLFGHGKPP-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.07
Rot. Bonds2

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

1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660677) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660677
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C10H8F2N2O2/c1-5(15)9-13-10(16-14-9)7-3-2-6(11)4-8(7)12/h2-5,15H,1H3
InChIKeyXRAKVOLFGHGKPP-UHFFFAOYSA-N
XLogP2.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
1-[5-(4-fluoro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660611
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
3-(1-chloroethyl)-5-(2,5-difluorophenyl)-1,2,4-oxadiazole
CID 67070739
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136965242
1-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660795

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660677) is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is XRAKVOLFGHGKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-5(15)9-13-10(16-14-9)7-3-2-6(11)4-8(7)12/h2-5,15H,1H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 226.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).