5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

C14H16N6O — CID 71996876

IUPAC5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(Cn2ccnc2-c2cnccn2)no1
InChIInChI=1S/C14H16N6O/c1-14(2,3)13-18-11(19-21-13)9-20-7-6-17-12(20)10-8-15-4-5-16-10/h4-8H,9H2,1-3H3
InChIKeyPTVUHHTYZPBCEA-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.07
Rot. Bonds3

About 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole

5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 71996876) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID71996876
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1nc(Cn2ccnc2-c2cnccn2)no1
InChIInChI=1S/C14H16N6O/c1-14(2,3)13-18-11(19-21-13)9-20-7-6-17-12(20)10-8-15-4-5-16-10/h4-8H,9H2,1-3H3
InChIKeyPTVUHHTYZPBCEA-UHFFFAOYSA-N
XLogP2.07
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole (CID 71996876) is 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is CC(C)(C)c1nc(Cn2ccnc2-c2cnccn2)no1.
What is the InChIKey of 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is PTVUHHTYZPBCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-14(2,3)13-18-11(19-21-13)9-20-7-6-17-12(20)10-8-15-4-5-16-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole?
5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(2-pyrazin-2-ylimidazol-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71996876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).