2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine

C13H25N3O2 — CID 43559825

IUPAC2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-11(2,3)10-15-9(16-18-10)13(6,14)8-12(4,5)17-7/h8,14H2,1-7H3
InChIKeyCMCOYTDGPPAZMT-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.36
Rot. Bonds4

About 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine

2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 43559825) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine
PubChem CID43559825
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1noc(C(C)(C)C)n1
InChIInChI=1S/C13H25N3O2/c1-11(2,3)10-15-9(16-18-10)13(6,14)8-12(4,5)17-7/h8,14H2,1-7H3
InChIKeyCMCOYTDGPPAZMT-UHFFFAOYSA-N
XLogP2.36
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine (CID 43559825) is 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)(N)c1noc(C(C)(C)C)n1.
What is the InChIKey of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is CMCOYTDGPPAZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-11(2,3)10-15-9(16-18-10)13(6,14)8-12(4,5)17-7/h8,14H2,1-7H3.
What are the key properties of 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine?
2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).