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

C14H19N3O — CID 63019293

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc(C(C)(C)C)no2)c1C
InChIInChI=1S/C14H19N3O/c1-8-6-10(15)7-11(9(8)2)12-16-13(17-18-12)14(3,4)5/h6-7H,15H2,1-5H3
InChIKeyUJIRVRRKORRCAZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.23
Rot. Bonds1

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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline (PubChem CID 63019293) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
PubChem CID63019293
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2nc(C(C)(C)C)no2)c1C
InChIInChI=1S/C14H19N3O/c1-8-6-10(15)7-11(9(8)2)12-16-13(17-18-12)14(3,4)5/h6-7H,15H2,1-5H3
InChIKeyUJIRVRRKORRCAZ-UHFFFAOYSA-N
XLogP3.23
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline (CID 63019293) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline is Cc1cc(N)cc(-c2nc(C(C)(C)C)no2)c1C.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
The InChIKey is UJIRVRRKORRCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-8-6-10(15)7-11(9(8)2)12-16-13(17-18-12)14(3,4)5/h6-7H,15H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline has a molecular weight of 245.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline is sourced from PubChem (CID 63019293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).