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

C11H13N3O2S — CID 113435353

IUPAC2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCSc1ccc(-c2nc(C(N)CO)no2)cc1
InChIInChI=1S/C11H13N3O2S/c1-17-8-4-2-7(3-5-8)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3
InChIKeyNOAKBERXULKAEP-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.45
Rot. Bonds4

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

2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 113435353) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID113435353
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCSc1ccc(-c2nc(C(N)CO)no2)cc1
InChIInChI=1S/C11H13N3O2S/c1-17-8-4-2-7(3-5-8)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3
InChIKeyNOAKBERXULKAEP-UHFFFAOYSA-N
XLogP1.45
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435341
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-amino-2-[5-(3-methylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633369
3-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206531
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633231
2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114024025

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 113435353) is 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is CSc1ccc(-c2nc(C(N)CO)no2)cc1.
What is the InChIKey of 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is NOAKBERXULKAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-17-8-4-2-7(3-5-8)11-13-10(14-16-11)9(12)6-15/h2-5,9,15H,6,12H2,1H3.
What are the key properties of 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 251.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 113435353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).