1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol

C13H11N3O2 — CID 102660591

IUPAC1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCC(O)c1noc(-c2cccc3cccnc23)n1
InChIInChI=1S/C13H11N3O2/c1-8(17)12-15-13(18-16-12)10-6-2-4-9-5-3-7-14-11(9)10/h2-8,17H,1H3
InChIKeyMQPWBQTYVKJBGI-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds2

About 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol

1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 102660591) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID102660591
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCC(O)c1noc(-c2cccc3cccnc23)n1
InChIInChI=1S/C13H11N3O2/c1-8(17)12-15-13(18-16-12)10-6-2-4-9-5-3-7-14-11(9)10/h2-8,17H,1H3
InChIKeyMQPWBQTYVKJBGI-UHFFFAOYSA-N
XLogP2.34
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660795
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
1-[5-(2,3-dihydro-1,4-benzodioxin-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660825
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)butan-2-amine
CID 62876085
2-methyl-1-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 104615612
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
3-pyrazin-2-yl-5-quinolin-8-yl-1,2,4-oxadiazole
CID 97014533
[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]hydrazine
CID 56766834
1-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660575
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
3-(1-methylpiperazin-2-yl)-5-quinolin-8-yl-1,2,4-oxadiazole
CID 120956638

Frequently Asked Questions

What is the IUPAC name of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol (CID 102660591) is 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol is CC(O)c1noc(-c2cccc3cccnc23)n1.
What is the InChIKey of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is MQPWBQTYVKJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8(17)12-15-13(18-16-12)10-6-2-4-9-5-3-7-14-11(9)10/h2-8,17H,1H3.
What are the key properties of 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol?
1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 241.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-quinolin-8-yl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 102660591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).