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

C10H17N3O2 — CID 104826978

IUPAC2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC1CCCC(c2nc(CCO)no2)C1
InChIInChI=1S/C10H17N3O2/c11-8-3-1-2-7(6-8)10-12-9(4-5-14)13-15-10/h7-8,14H,1-6,11H2
InChIKeyFUGBGASVIYKHCE-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.59
Rot. Bonds3

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

2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104826978) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104826978
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC1CCCC(c2nc(CCO)no2)C1
InChIInChI=1S/C10H17N3O2/c11-8-3-1-2-7(6-8)10-12-9(4-5-14)13-15-10/h7-8,14H,1-6,11H2
InChIKeyFUGBGASVIYKHCE-UHFFFAOYSA-N
XLogP0.59
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134666
3-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103145892
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
2-[5-(2-aminocyclopentyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104827152
cis-(1S,3R)-3-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 106323160
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106814652
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030405
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66030799
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65331227
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104826978) is 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol is NC1CCCC(c2nc(CCO)no2)C1.
What is the InChIKey of 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is FUGBGASVIYKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-8-3-1-2-7(6-8)10-12-9(4-5-14)13-15-10/h7-8,14H,1-6,11H2.
What are the key properties of 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 211.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104826978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).