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

C10H8F2N2O2 — CID 63349567

IUPAC1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C10H8F2N2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3
InChIKeyMYWPTDPRYQPEBM-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.07
Rot. Bonds2

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

1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349567) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349567
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCC(O)c1nc(-c2cc(F)cc(F)c2)no1
InChIInChI=1S/C10H8F2N2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3
InChIKeyMYWPTDPRYQPEBM-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63349567) is 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is CC(O)c1nc(-c2cc(F)cc(F)c2)no1.
What is the InChIKey of 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is MYWPTDPRYQPEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3.
What are the key properties of 1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-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-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).