3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide

C16H20N4O2 — CID 120862262

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1
InChIInChI=1S/C16H20N4O2/c1-3-20(2)14(21)12-7-4-6-11(10-12)13-18-15(19-22-13)16(17)8-5-9-16/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyXVIWCRHSIJCFBK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.17
Rot. Bonds4

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide (PubChem CID 120862262) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
PubChem CID120862262
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1
InChIInChI=1S/C16H20N4O2/c1-3-20(2)14(21)12-7-4-6-11(10-12)13-18-15(19-22-13)16(17)8-5-9-16/h4,6-7,10H,3,5,8-9,17H2,1-2H3
InChIKeyXVIWCRHSIJCFBK-UHFFFAOYSA-N
XLogP2.17
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-phenylbenzamide
CID 120852599
1-[5-[3-[(dimethylamino)methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853378
1-[5-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863148
1-[5-[3-(methylsulfonylmethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860209
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide
CID 120861710
N-ethyl-N-methyl-3-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]benzamide
CID 120960889
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120859234
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(3-propoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 62920379
1-[5-[3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859176
1-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863388
1-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61354336

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide (CID 120862262) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(-c2nc(C3(N)CCC3)no2)c1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide?
The InChIKey is XVIWCRHSIJCFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20(2)14(21)12-7-4-6-11(10-12)13-18-15(19-22-13)16(17)8-5-9-16/h4,6-7,10H,3,5,8-9,17H2,1-2H3.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 120862262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).