1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol

C13H15FN2O3 — CID 55145929

IUPAC1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1nc(COc2cc(F)ccc2C(C)O)no1
InChIInChI=1S/C13H15FN2O3/c1-3-13-15-12(16-19-13)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3
InChIKeyWLKICDRTBHCBAJ-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.40
Rot. Bonds5

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

1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol (PubChem CID 55145929) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
PubChem CID55145929
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
SMILESCCc1nc(COc2cc(F)ccc2C(C)O)no1
InChIInChI=1S/C13H15FN2O3/c1-3-13-15-12(16-19-13)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3
InChIKeyWLKICDRTBHCBAJ-UHFFFAOYSA-N
XLogP2.40
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol (CID 55145929) is 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol is CCc1nc(COc2cc(F)ccc2C(C)O)no1.
What is the InChIKey of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol?
The InChIKey is WLKICDRTBHCBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-3-13-15-12(16-19-13)7-18-11-6-9(14)4-5-10(11)8(2)17/h4-6,8,17H,3,7H2,1-2H3.
What are the key properties of 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol?
1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol has a molecular weight of 266.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol is sourced from PubChem (CID 55145929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).