1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C11H20N4O — CID 120859082

IUPAC1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCN(C)Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C11H20N4O/c1-3-7-15(2)8-9-13-10(14-16-9)11(12)5-4-6-11/h3-8,12H2,1-2H3
InChIKeyWICHZYVTSPEOTJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.25
Rot. Bonds5

About 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120859082) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120859082
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESCCCN(C)Cc1nc(C2(N)CCC2)no1
InChIInChI=1S/C11H20N4O/c1-3-7-15(2)8-9-13-10(14-16-9)11(12)5-4-6-11/h3-8,12H2,1-2H3
InChIKeyWICHZYVTSPEOTJ-UHFFFAOYSA-N
XLogP1.25
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanesulfonamide
CID 120851786
1-(5-pentyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 61353102
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863268
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]butanamide;hydrochloride
CID 120864337
1-(5-octyl-1,2,4-oxadiazol-3-yl)cycloheptan-1-amine
CID 65426980
1-[5-(3,3-dimethylbutyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859920
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234
1-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-propylcycloheptan-1-amine
CID 65090399
1-ethyl-4-(5-propyl-1,2,4-oxadiazol-3-yl)azepan-4-amine
CID 65077749
4-(5-ethyl-1,2,4-oxadiazol-3-yl)thian-4-amine
CID 61339130
1-[5-(2-methylbutyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 114876400
N-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120861153

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120859082) is 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CCCN(C)Cc1nc(C2(N)CCC2)no1.
What is the InChIKey of 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is WICHZYVTSPEOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-7-15(2)8-9-13-10(14-16-9)11(12)5-4-6-11/h3-8,12H2,1-2H3.
What are the key properties of 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 224.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[methyl(propyl)amino]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120859082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).