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

C15H25N5O — CID 83091240

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCn1cc(C(N)c2noc(C(C)(C)C)n2)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-14(2,3)11-9(8-20(7)18-11)10(16)12-17-13(21-19-12)15(4,5)6/h8,10H,16H2,1-7H3
InChIKeyNHOMIARSUZXDBT-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.45
Rot. Bonds2

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

(3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 83091240) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID83091240
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCn1cc(C(N)c2noc(C(C)(C)C)n2)c(C(C)(C)C)n1
InChIInChI=1S/C15H25N5O/c1-14(2,3)11-9(8-20(7)18-11)10(16)12-17-13(21-19-12)15(4,5)6/h8,10H,16H2,1-7H3
InChIKeyNHOMIARSUZXDBT-UHFFFAOYSA-N
XLogP2.45
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine 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 (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine (CID 83091240) is (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine is Cn1cc(C(N)c2noc(C(C)(C)C)n2)c(C(C)(C)C)n1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is NHOMIARSUZXDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-14(2,3)11-9(8-20(7)18-11)10(16)12-17-13(21-19-12)15(4,5)6/h8,10H,16H2,1-7H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 291.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-1-methylpyrazol-4-yl)-(5-tert-butyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 83091240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).