3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

C10H14N4O — CID 58523710

IUPAC3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(Cn2cccn2)n1
InChIInChI=1S/C10H14N4O/c1-10(2,3)9-12-8(15-13-9)7-14-6-4-5-11-14/h4-6H,7H2,1-3H3
InChIKeyJWWADYXRUFTTHH-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.61
Rot. Bonds2

About 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole

3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 58523710) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID58523710
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(Cn2cccn2)n1
InChIInChI=1S/C10H14N4O/c1-10(2,3)9-12-8(15-13-9)7-14-6-4-5-11-14/h4-6H,7H2,1-3H3
InChIKeyJWWADYXRUFTTHH-UHFFFAOYSA-N
XLogP1.61
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole (CID 58523710) is 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is CC(C)(C)c1noc(Cn2cccn2)n1.
What is the InChIKey of 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is JWWADYXRUFTTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)9-12-8(15-13-9)7-14-6-4-5-11-14/h4-6H,7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole?
3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 206.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(pyrazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 58523710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).