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

C13H21N5O — CID 83090882

IUPAC(3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C13H21N5O/c1-6-9-15-12(17-19-9)10(14)8-7-18(5)16-11(8)13(2,3)4/h7,10H,6,14H2,1-5H3
InChIKeyYBQZMLOHVYQYSK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.71
Rot. Bonds3

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

(3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 83090882) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID83090882
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESCCc1nc(C(N)c2cn(C)nc2C(C)(C)C)no1
InChIInChI=1S/C13H21N5O/c1-6-9-15-12(17-19-9)10(14)8-7-18(5)16-11(8)13(2,3)4/h7,10H,6,14H2,1-5H3
InChIKeyYBQZMLOHVYQYSK-UHFFFAOYSA-N
XLogP1.71
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine (CID 83090882) is (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine is CCc1nc(C(N)c2cn(C)nc2C(C)(C)C)no1.
What is the InChIKey of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is YBQZMLOHVYQYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-6-9-15-12(17-19-9)10(14)8-7-18(5)16-11(8)13(2,3)4/h7,10H,6,14H2,1-5H3.
What are the key properties of (3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine?
(3-tert-butyl-1-methylpyrazol-4-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.71, 3 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-ethyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 83090882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).