5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine

C13H21N5O — CID 136521909

IUPAC5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCc1[nH]ncc1CCCNc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H21N5O/c1-9-10(8-15-17-9)6-5-7-14-12-16-11(19-18-12)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyVHRSHJIPDIKJGO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.44
Rot. Bonds5

About 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine

5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine (PubChem CID 136521909) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine
PubChem CID136521909
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine
SMILESCc1[nH]ncc1CCCNc1noc(C(C)(C)C)n1
InChIInChI=1S/C13H21N5O/c1-9-10(8-15-17-9)6-5-7-14-12-16-11(19-18-12)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyVHRSHJIPDIKJGO-UHFFFAOYSA-N
XLogP2.44
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine 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 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine (CID 136521909) is 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine is Cc1[nH]ncc1CCCNc1noc(C(C)(C)C)n1.
What is the InChIKey of 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine?
The InChIKey is VHRSHJIPDIKJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-10(8-15-17-9)6-5-7-14-12-16-11(19-18-12)13(2,3)4/h8H,5-7H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine?
5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine has a molecular weight of 263.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 136521909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).