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

C11H19N3O2 — CID 104915781

IUPAC(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(14-16-11)8-5-3-1-2-4-6-8/h8-9,15H,1-7,12H2/t9-/m0/s1
InChIKeyKTVWDFCTKXNIES-VIFPVBQESA-N
MW225.29 g/mol
LogP1.50
Rot. Bonds3

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

(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol (PubChem CID 104915781) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
PubChem CID104915781
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
SMILESN[C@@H](CO)c1nc(C2CCCCCC2)no1
InChIInChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(14-16-11)8-5-3-1-2-4-6-8/h8-9,15H,1-7,12H2/t9-/m0/s1
InChIKeyKTVWDFCTKXNIES-VIFPVBQESA-N
XLogP1.50
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(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-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol (CID 104915781) is (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol is N[C@@H](CO)c1nc(C2CCCCCC2)no1.
What is the InChIKey of (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol?
The InChIKey is KTVWDFCTKXNIES-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O2/c12-9(7-15)11-13-10(14-16-11)8-5-3-1-2-4-6-8/h8-9,15H,1-7,12H2/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol?
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.50, 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-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol is sourced from PubChem (CID 104915781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).