3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline

C14H17N3O — CID 64982375

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc(C3CCC3)no2)c1C
InChIInChI=1S/C14H17N3O/c1-8-6-11(15)7-12(9(8)2)14-16-13(17-18-14)10-4-3-5-10/h6-7,10H,3-5,15H2,1-2H3
InChIKeyIDELRSUBWATQRU-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.20
Rot. Bonds2

About 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline (PubChem CID 64982375) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
PubChem CID64982375
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc(C3CCC3)no2)c1C
InChIInChI=1S/C14H17N3O/c1-8-6-11(15)7-12(9(8)2)14-16-13(17-18-14)10-4-3-5-10/h6-7,10H,3-5,15H2,1-2H3
InChIKeyIDELRSUBWATQRU-UHFFFAOYSA-N
XLogP3.20
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 63021546
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 63019293
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 63891693
5-(5-amino-2,3-dimethylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790237
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
CID 64982482
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
3,4-dimethyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63019469
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline (CID 64982375) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline is Cc1cc(N)cc(-c2nc(C3CCC3)no2)c1C.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The InChIKey is IDELRSUBWATQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-6-11(15)7-12(9(8)2)14-16-13(17-18-14)10-4-3-5-10/h6-7,10H,3-5,15H2,1-2H3.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline has a molecular weight of 243.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline is sourced from PubChem (CID 64982375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).