N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

C13H23ClN4O2 — CID 119817375

IUPACN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-9(15-11(18)8-14-2)13-16-12(17-19-13)10-6-4-3-5-7-10;/h9-10,14H,3-8H2,1-2H3,(H,15,18);1H
InChIKeyRQHWLDGGOGBEMU-UHFFFAOYSA-N
MW302.81 g/mol
LogP1.94
Rot. Bonds5

About N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (PubChem CID 119817375) has the molecular formula C13H23ClN4O2 and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
PubChem CID119817375
Molecular FormulaC13H23ClN4O2
Molecular Weight302.81 g/mol
Exact Mass302.15
IUPAC NameN-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
SMILESCNCC(=O)NC(C)c1nc(C2CCCCC2)no1.Cl
InChIInChI=1S/C13H22N4O2.ClH/c1-9(15-11(18)8-14-2)13-16-12(17-19-13)10-6-4-3-5-7-10;/h9-10,14H,3-8H2,1-2H3,(H,15,18);1H
InChIKeyRQHWLDGGOGBEMU-UHFFFAOYSA-N
XLogP1.94
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119817384
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 119817400
2-(aminomethyl)-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119817391
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 136515591
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
9-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991358
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119817371
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111540799
1-[(1R)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96520156
3-amino-N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119817373
5-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 126778226
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The IUPAC name of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride (CID 119817375) is N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The canonical SMILES for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is CNCC(=O)NC(C)c1nc(C2CCCCC2)no1.Cl.
What is the InChIKey of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
The InChIKey is RQHWLDGGOGBEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.ClH/c1-9(15-11(18)8-14-2)13-16-12(17-19-13)10-6-4-3-5-7-10;/h9-10,14H,3-8H2,1-2H3,(H,15,18);1H.
What are the key properties of N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride?
N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride has a molecular weight of 302.81 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride is sourced from PubChem (CID 119817375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).