4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline

C15H19N3O — CID 112558486

IUPAC4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline
SMILESCC(C)(C)c1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C15H19N3O/c1-14(2,3)12-17-13(19-18-12)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3
InChIKeyHFNKTHCUPXYSGL-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds2

About 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline

4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline (PubChem CID 112558486) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline
PubChem CID112558486
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline
SMILESCC(C)(C)c1noc(C2(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C15H19N3O/c1-14(2,3)12-17-13(19-18-12)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3
InChIKeyHFNKTHCUPXYSGL-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline?
The IUPAC name of 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline (CID 112558486) is 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline.
What is the SMILES notation for 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline?
The canonical SMILES for 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline is CC(C)(C)c1noc(C2(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline?
The InChIKey is HFNKTHCUPXYSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-14(2,3)12-17-13(19-18-12)15(8-9-15)10-4-6-11(16)7-5-10/h4-7H,8-9,16H2,1-3H3.
What are the key properties of 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline?
4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline has a molecular weight of 257.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)cyclopropyl]aniline is sourced from PubChem (CID 112558486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).