1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol

C12H21N3O2 — CID 113390662

IUPAC1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)Cc1noc(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-15(2)8-11-13-12(17-14-11)7-10(16)9-5-3-4-6-9/h9-10,16H,3-8H2,1-2H3
InChIKeyGXEPOFGCDGLIII-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.22
Rot. Bonds5

About 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol

1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 113390662) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID113390662
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESCN(C)Cc1noc(CC(O)C2CCCC2)n1
InChIInChI=1S/C12H21N3O2/c1-15(2)8-11-13-12(17-14-11)7-10(16)9-5-3-4-6-9/h9-10,16H,3-8H2,1-2H3
InChIKeyGXEPOFGCDGLIII-UHFFFAOYSA-N
XLogP1.22
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 113390662) is 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol is CN(C)Cc1noc(CC(O)C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is GXEPOFGCDGLIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-15(2)8-11-13-12(17-14-11)7-10(16)9-5-3-4-6-9/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 239.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 113390662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).