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

C12H10N2O3 — CID 102660772

IUPAC1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H10N2O3/c1-7(15)11-13-12(17-14-11)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3
InChIKeyPEKXCRFDARHTJE-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.54
Rot. Bonds2

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

1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660772) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660772
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C12H10N2O3/c1-7(15)11-13-12(17-14-11)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3
InChIKeyPEKXCRFDARHTJE-UHFFFAOYSA-N
XLogP2.54
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653521
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
3-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845259
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
5-(6-bromo-1-benzofuran-2-yl)-3-(difluoromethyl)-1,2,4-oxadiazole
CID 167782744
2-(1-benzofuran-2-yl)-1,3-benzoxazole
CID 9323121
5-(1-benzofuran-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317491
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660591
4-[3-(1-hydroxyethyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 102660571
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660772) is 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is PEKXCRFDARHTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7(15)11-13-12(17-14-11)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3.
What are the key properties of 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 230.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).