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

C12H14N2O2 — CID 102660556

IUPAC1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCc1ccccc1-c1nc(C(C)O)no1
InChIInChI=1S/C12H14N2O2/c1-3-9-6-4-5-7-10(9)12-13-11(8(2)15)14-16-12/h4-8,15H,3H2,1-2H3
InChIKeyFCLPODVTXJLOFA-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.35
Rot. Bonds3

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

1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660556) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660556
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCc1ccccc1-c1nc(C(C)O)no1
InChIInChI=1S/C12H14N2O2/c1-3-9-6-4-5-7-10(9)12-13-11(8(2)15)14-16-12/h4-8,15H,3H2,1-2H3
InChIKeyFCLPODVTXJLOFA-UHFFFAOYSA-N
XLogP2.35
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660795
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660591
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660825
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
2-[2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenyl]acetonitrile
CID 106527254
1-[5-(2-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096524
1-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660767

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660556) is 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is CCc1ccccc1-c1nc(C(C)O)no1.
What is the InChIKey of 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is FCLPODVTXJLOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-9-6-4-5-7-10(9)12-13-11(8(2)15)14-16-12/h4-8,15H,3H2,1-2H3.
What are the key properties of 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 218.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).