5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole

C11H15BrN4O — CID 167856572

IUPAC5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cnn(C(C)(C)C)c2Br)n1
InChIInChI=1S/C11H15BrN4O/c1-5-8-14-10(17-15-8)7-6-13-16(9(7)12)11(2,3)4/h6H,5H2,1-4H3
InChIKeyMIXYTPZKAWSZIE-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.01
Rot. Bonds2

About 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole

5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 167856572) has the molecular formula C11H15BrN4O and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole
PubChem CID167856572
Molecular FormulaC11H15BrN4O
Molecular Weight299.17 g/mol
Exact Mass298.04
IUPAC Name5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(-c2cnn(C(C)(C)C)c2Br)n1
InChIInChI=1S/C11H15BrN4O/c1-5-8-14-10(17-15-8)7-6-13-16(9(7)12)11(2,3)4/h6H,5H2,1-4H3
InChIKeyMIXYTPZKAWSZIE-UHFFFAOYSA-N
XLogP3.01
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65133960
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
5-(5-bromothiophen-3-yl)-3-ethyl-1,2,4-oxadiazole
CID 130891325
5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 130685221
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 65130936
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
5-(5-bromoisoquinolin-3-yl)-3-ethyl-1,2,4-oxadiazole
CID 155954337
5-bromo-2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63890406
5-(4-bromo-2-pyridinyl)-3-ethyl-1,2,4-oxadiazole
CID 118348740
1-methyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
CID 65130218
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 113291073

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole (CID 167856572) is 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole is CCc1noc(-c2cnn(C(C)(C)C)c2Br)n1.
What is the InChIKey of 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is MIXYTPZKAWSZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O/c1-5-8-14-10(17-15-8)7-6-13-16(9(7)12)11(2,3)4/h6H,5H2,1-4H3.
What are the key properties of 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole?
5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 299.17 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1-tert-butylpyrazol-4-yl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 167856572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).