2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide

C13H24N4O2 — CID 34549633

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H24N4O2/c1-6-14-10(18)8-17(7-2)9-11-15-16-12(19-11)13(3,4)5/h6-9H2,1-5H3,(H,14,18)
InChIKeyUEXLQKPUZMVEFY-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.33
Rot. Bonds6

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 34549633) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID34549633
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1nnc(C(C)(C)C)o1
InChIInChI=1S/C13H24N4O2/c1-6-14-10(18)8-17(7-2)9-11-15-16-12(19-11)13(3,4)5/h6-9H2,1-5H3,(H,14,18)
InChIKeyUEXLQKPUZMVEFY-UHFFFAOYSA-N
XLogP1.33
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.33
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-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide (CID 34549633) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1nnc(C(C)(C)C)o1.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is UEXLQKPUZMVEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-14-10(18)8-17(7-2)9-11-15-16-12(19-11)13(3,4)5/h6-9H2,1-5H3,(H,14,18).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 268.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 34549633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).