(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine

C10H17N3O — CID 42046742

IUPAC(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](N)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H17N3O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyXIXVRZVGXGXDIS-ZETCQYMHSA-N
MW195.27 g/mol
LogP2.14
Rot. Bonds2

About (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine

(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 42046742) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID42046742
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](N)c1nnc(C2CCCCC2)o1
InChIInChI=1S/C10H17N3O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3/t7-/m0/s1
InChIKeyXIXVRZVGXGXDIS-ZETCQYMHSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine (CID 42046742) is (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine is C[C@H](N)c1nnc(C2CCCCC2)o1.
What is the InChIKey of (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is XIXVRZVGXGXDIS-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(11)9-12-13-10(14-9)8-5-3-2-4-6-8/h7-8H,2-6,11H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine?
(1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 195.27 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 42046742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).