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

C12H20N2O3 — CID 55544569

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate
SMILESCCCC(=O)OC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H20N2O3/c1-6-7-9(15)16-8(2)10-13-11(14-17-10)12(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYGUNZCUGRWLJCQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.77
Rot. Bonds4

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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate (PubChem CID 55544569) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate
PubChem CID55544569
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate
SMILESCCCC(=O)OC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H20N2O3/c1-6-7-9(15)16-8(2)10-13-11(14-17-10)12(3,4)5/h8H,6-7H2,1-5H3
InChIKeyYGUNZCUGRWLJCQ-UHFFFAOYSA-N
XLogP2.77
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate (CID 55544569) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate is CCCC(=O)OC(C)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate?
The InChIKey is YGUNZCUGRWLJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-7-9(15)16-8(2)10-13-11(14-17-10)12(3,4)5/h8H,6-7H2,1-5H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate has a molecular weight of 240.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl butanoate is sourced from PubChem (CID 55544569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).