N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine

C21H23N3O — CID 141194678

IUPACN-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
SMILESCCc1ccc(-c2nc(-c3cccc(CNC4CCC4)c3)no2)cc1
InChIInChI=1S/C21H23N3O/c1-2-15-9-11-17(12-10-15)21-23-20(24-25-21)18-6-3-5-16(13-18)14-22-19-7-4-8-19/h3,5-6,9-13,19,22H,2,4,7-8,14H2,1H3
InChIKeyFEPSTGZEUBZTIC-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.61
Rot. Bonds6

About N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine

N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine (PubChem CID 141194678) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
PubChem CID141194678
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
SMILESCCc1ccc(-c2nc(-c3cccc(CNC4CCC4)c3)no2)cc1
InChIInChI=1S/C21H23N3O/c1-2-15-9-11-17(12-10-15)21-23-20(24-25-21)18-6-3-5-16(13-18)14-22-19-7-4-8-19/h3,5-6,9-13,19,22H,2,4,7-8,14H2,1H3
InChIKeyFEPSTGZEUBZTIC-UHFFFAOYSA-N
XLogP4.61
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525251
(7R,8aS)-N-[[3-(3-propyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 124856419
N-[[4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine
CID 157123598
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
[3-[5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
CID 129215030
1-methyl-4-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 71034738
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[3-(2,3-dihydro-1H-inden-5-yl)phenyl]methyl]cyclopropanamine
CID 61034448

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The IUPAC name of N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine (CID 141194678) is N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine is CCc1ccc(-c2nc(-c3cccc(CNC4CCC4)c3)no2)cc1.
What is the InChIKey of N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
The InChIKey is FEPSTGZEUBZTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-15-9-11-17(12-10-15)21-23-20(24-25-21)18-6-3-5-16(13-18)14-22-19-7-4-8-19/h3,5-6,9-13,19,22H,2,4,7-8,14H2,1H3.
What are the key properties of N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine?
N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine has a molecular weight of 333.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanamine is sourced from PubChem (CID 141194678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).