2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid

C11H17N3O3 — CID 116799749

IUPAC2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1noc(C2CCCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-14(2)11-12-9(17-13-11)7-5-3-4-6-8(7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyGHNODKQWXCENLL-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.49
Rot. Bonds3

About 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid

2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid (PubChem CID 116799749) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
PubChem CID116799749
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
SMILESCN(C)c1noc(C2CCCCC2C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-14(2)11-12-9(17-13-11)7-5-3-4-6-8(7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyGHNODKQWXCENLL-UHFFFAOYSA-N
XLogP1.49
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979771
2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
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2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
CID 80621211
2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979840
2-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 116808678
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979784
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979863
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979801
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979793
(1S,4R)-4-[4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]cyclobut-2-ene-1-carboxylic acid
CID 167977364
5-(4-aminocyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753285

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid (CID 116799749) is 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid is CN(C)c1noc(C2CCCCC2C(=O)O)n1.
What is the InChIKey of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GHNODKQWXCENLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14(2)11-12-9(17-13-11)7-5-3-4-6-8(7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid?
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 116799749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).