5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

C15H15BrN4O — CID 19324610

IUPAC5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(C(C)c2nc(-c3ccccc3)no2)c(C)c1Br
InChIInChI=1S/C15H15BrN4O/c1-9-13(16)10(2)20(18-9)11(3)15-17-14(19-21-15)12-7-5-4-6-8-12/h4-8,11H,1-3H3
InChIKeyREXPRQKYADADKK-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.92
Rot. Bonds3

About 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324610) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324610
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(C(C)c2nc(-c3ccccc3)no2)c(C)c1Br
InChIInChI=1S/C15H15BrN4O/c1-9-13(16)10(2)20(18-9)11(3)15-17-14(19-21-15)12-7-5-4-6-8-12/h4-8,11H,1-3H3
InChIKeyREXPRQKYADADKK-UHFFFAOYSA-N
XLogP3.92
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole (CID 19324610) is 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is Cc1nn(C(C)c2nc(-c3ccccc3)no2)c(C)c1Br.
What is the InChIKey of 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is REXPRQKYADADKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-9-13(16)10(2)20(18-9)11(3)15-17-14(19-21-15)12-7-5-4-6-8-12/h4-8,11H,1-3H3.
What are the key properties of 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 347.22 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).