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

C12H14N2O2S — CID 106850000

IUPAC1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCSc1ccc(-c2noc(C(C)O)n2)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-17-10-6-4-9(5-7-10)11-13-12(8(2)15)16-14-11/h4-8,15H,3H2,1-2H3
InChIKeyFZYFXGXPKIFHGM-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.90
Rot. Bonds4

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

1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 106850000) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID106850000
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCSc1ccc(-c2noc(C(C)O)n2)cc1
InChIInChI=1S/C12H14N2O2S/c1-3-17-10-6-4-9(5-7-10)11-13-12(8(2)15)16-14-11/h4-8,15H,3H2,1-2H3
InChIKeyFZYFXGXPKIFHGM-UHFFFAOYSA-N
XLogP2.90
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 106847684
3-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106850058
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565674
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345393
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
CID 106849376
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106847546
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
4-[5-(1-hydroxyethyl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889543
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 106850061

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 106850000) is 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol is CCSc1ccc(-c2noc(C(C)O)n2)cc1.
What is the InChIKey of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is FZYFXGXPKIFHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-17-10-6-4-9(5-7-10)11-13-12(8(2)15)16-14-11/h4-8,15H,3H2,1-2H3.
What are the key properties of 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 250.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 106850000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).