N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride

C11H19ClN4O2 — CID 120864337

IUPACN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCc1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-2-4-8(16)13-7-9-14-10(15-17-9)11(12)5-3-6-11;/h2-7,12H2,1H3,(H,13,16);1H
InChIKeyMFCZSOKNHYWCME-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.25
Rot. Bonds5

About N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride

N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride (PubChem CID 120864337) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
PubChem CID120864337
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC NameN-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
SMILESCCCC(=O)NCc1nc(C2(N)CCC2)no1.Cl
InChIInChI=1S/C11H18N4O2.ClH/c1-2-4-8(16)13-7-9-14-10(15-17-9)11(12)5-3-6-11;/h2-7,12H2,1H3,(H,13,16);1H
InChIKeyMFCZSOKNHYWCME-UHFFFAOYSA-N
XLogP1.25
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxybenzamide
CID 120850243
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859082
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 120859066
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 120855723
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
2-[[3-(1-aminocyclohexyl)-1,2,4-oxadiazol-5-yl]methylsulfamoylamino]acetic acid
CID 134354846
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354340

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride?
The IUPAC name of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride (CID 120864337) is N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride.
What is the SMILES notation for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride?
The canonical SMILES for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride is CCCC(=O)NCc1nc(C2(N)CCC2)no1.Cl.
What is the InChIKey of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride?
The InChIKey is MFCZSOKNHYWCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2.ClH/c1-2-4-8(16)13-7-9-14-10(15-17-9)11(12)5-3-6-11;/h2-7,12H2,1H3,(H,13,16);1H.
What are the key properties of N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride?
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120864337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).