(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol

C12H21N3O2 — CID 104915877

IUPAC(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C12H21N3O2/c13-10(8-16)12-14-11(15-17-12)9-6-4-2-1-3-5-7-9/h9-10,16H,1-8,13H2/t10-/m0/s1
InChIKeyBNGCGAMEQLKQHB-JTQLQIEISA-N
MW239.32 g/mol
LogP1.89
Rot. Bonds3

About (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol

(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 104915877) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID104915877
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(C2CCCCCCC2)no1
InChIInChI=1S/C12H21N3O2/c13-10(8-16)12-14-11(15-17-12)9-6-4-2-1-3-5-7-9/h9-10,16H,1-8,13H2/t10-/m0/s1
InChIKeyBNGCGAMEQLKQHB-JTQLQIEISA-N
XLogP1.89
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934
(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915770
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-3-methylsulfonylpropan-1-amine
CID 65391282
(1S)-3-amino-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 107836745
1-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-(1H-imidazol-5-yl)ethanamine
CID 80609620
(1S)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-2,2-dimethylpropan-1-amine
CID 93357432
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol (CID 104915877) is (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol is N[C@@H](CO)c1nc(C2CCCCCCC2)no1.
What is the InChIKey of (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is BNGCGAMEQLKQHB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H21N3O2/c13-10(8-16)12-14-11(15-17-12)9-6-4-2-1-3-5-7-9/h9-10,16H,1-8,13H2/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol?
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 104915877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).