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

C16H22N4O — CID 120859234

IUPAC4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C16H22N4O/c1-3-11-20(2)13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-4-10-16/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyJMHURVXYTKHVQQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.92
Rot. Bonds5

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

4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline (PubChem CID 120859234) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline.

Molecular Properties

Compound Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
PubChem CID120859234
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
SMILESCCCN(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1
InChIInChI=1S/C16H22N4O/c1-3-11-20(2)13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-4-10-16/h5-8H,3-4,9-11,17H2,1-2H3
InChIKeyJMHURVXYTKHVQQ-UHFFFAOYSA-N
XLogP2.92
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline
CID 120850900
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(2-methylpropyl)aniline;hydrochloride
CID 120857240
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862536
4-[5-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-N,N-dimethylaniline;hydrochloride
CID 120853767
1-[5-[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120863760
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanone
CID 120861030
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120855787
1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850595
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline?
The IUPAC name of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline (CID 120859234) is 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline.
What is the SMILES notation for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline?
The canonical SMILES for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline is CCCN(C)c1ccc(-c2nc(C3(N)CCC3)no2)cc1.
What is the InChIKey of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline?
The InChIKey is JMHURVXYTKHVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-11-20(2)13-7-5-12(6-8-13)14-18-15(19-21-14)16(17)9-4-10-16/h5-8H,3-4,9-11,17H2,1-2H3.
What are the key properties of 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline?
4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylaniline is sourced from PubChem (CID 120859234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).