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

C11H18ClN3O2 — CID 106957155

IUPAC2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
SMILESOCCN(c1nnc(CCl)o1)C1CCCCC1
InChIInChI=1S/C11H18ClN3O2/c12-8-10-13-14-11(17-10)15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeySSUVZIJQIDUEAN-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.94
Rot. Bonds5

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

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol (PubChem CID 106957155) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
PubChem CID106957155
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol
SMILESOCCN(c1nnc(CCl)o1)C1CCCCC1
InChIInChI=1S/C11H18ClN3O2/c12-8-10-13-14-11(17-10)15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2
InChIKeySSUVZIJQIDUEAN-UHFFFAOYSA-N
XLogP1.94
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106957161
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]-cyclopentylamino]ethanol
CID 106971108
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]ethanol
CID 106956824
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010
2-[1,3-benzoxazol-2-yl(cyclopentyl)amino]ethanol
CID 54999201
N-cyclohexyl-5-[(cyclopropylamino)methyl]-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106968014
3-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-ethylamino]propan-1-ol
CID 106958612
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
N-cyclopentyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969096
5-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-1,3,4-oxadiazol-2-amine
CID 106969105

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol?
The IUPAC name of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol (CID 106957155) is 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol?
The canonical SMILES for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol is OCCN(c1nnc(CCl)o1)C1CCCCC1.
What is the InChIKey of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol?
The InChIKey is SSUVZIJQIDUEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c12-8-10-13-14-11(17-10)15(6-7-16)9-4-2-1-3-5-9/h9,16H,1-8H2.
What are the key properties of 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol?
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol has a molecular weight of 259.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]-cyclohexylamino]ethanol is sourced from PubChem (CID 106957155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).