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

C12H20N2O3 — CID 55553227

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H20N2O3/c1-7(2)10(15)16-8(3)9-13-11(14-17-9)12(4,5)6/h7-8H,1-6H3
InChIKeyUKBVVZJEGPWVLH-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.63
Rot. Bonds3

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

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate (PubChem CID 55553227) 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 2-methylpropanoate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
PubChem CID55553227
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OC(C)c1nc(C(C)(C)C)no1
InChIInChI=1S/C12H20N2O3/c1-7(2)10(15)16-8(3)9-13-11(14-17-9)12(4,5)6/h7-8H,1-6H3
InChIKeyUKBVVZJEGPWVLH-UHFFFAOYSA-N
XLogP2.63
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.63
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 2-methylpropanoate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate (CID 55553227) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate is CC(C)C(=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 2-methylpropanoate?
The InChIKey is UKBVVZJEGPWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(2)10(15)16-8(3)9-13-11(14-17-9)12(4,5)6/h7-8H,1-6H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-methylpropanoate has a molecular weight of 240.30 g/mol, XLogP of 2.63, 3 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 2-methylpropanoate is sourced from PubChem (CID 55553227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).