2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C11H19N3O2 — CID 79085278

IUPAC2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCN(C)Cc1noc(C2CCCCC2O)n1
InChIInChI=1S/C11H19N3O2/c1-14(2)7-10-12-11(16-13-10)8-5-3-4-6-9(8)15/h8-9,15H,3-7H2,1-2H3
InChIKeyMZOHMNJRQRTHGF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds3

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

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 79085278) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID79085278
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCN(C)Cc1noc(C2CCCCC2O)n1
InChIInChI=1S/C11H19N3O2/c1-14(2)7-10-12-11(16-13-10)8-5-3-4-6-9(8)15/h8-9,15H,3-7H2,1-2H3
InChIKeyMZOHMNJRQRTHGF-UHFFFAOYSA-N
XLogP1.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79077058
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 79085090
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63349124
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 65129782
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345076
2-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 63349231
2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63349394
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66086839
(5S)-5-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104911379
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63345954
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
CID 114513025
2-[3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 66065535

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 79085278) is 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is CN(C)Cc1noc(C2CCCCC2O)n1.
What is the InChIKey of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is MZOHMNJRQRTHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-14(2)7-10-12-11(16-13-10)8-5-3-4-6-9(8)15/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 79085278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).