3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole

C11H16N4O — CID 126840265

IUPAC3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CCc2ncc[nH]2)n1
InChIInChI=1S/C11H16N4O/c1-11(2,3)10-14-9(16-15-10)5-4-8-12-6-7-13-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyNMSKKWGQRVCUQJ-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.88
Rot. Bonds3

About 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole

3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole (PubChem CID 126840265) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole
PubChem CID126840265
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(CCc2ncc[nH]2)n1
InChIInChI=1S/C11H16N4O/c1-11(2,3)10-14-9(16-15-10)5-4-8-12-6-7-13-8/h6-7H,4-5H2,1-3H3,(H,12,13)
InChIKeyNMSKKWGQRVCUQJ-UHFFFAOYSA-N
XLogP1.88
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole (CID 126840265) is 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole is CC(C)(C)c1noc(CCc2ncc[nH]2)n1.
What is the InChIKey of 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole?
The InChIKey is NMSKKWGQRVCUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-11(2,3)10-14-9(16-15-10)5-4-8-12-6-7-13-8/h6-7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole?
3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole has a molecular weight of 220.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[2-(1H-imidazol-2-yl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 126840265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).