5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole

C12H14BrN3O — CID 164719469

IUPAC5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole
SMILESCn1cc(Cc2cc(C3CCC3)no2)c(Br)n1
InChIInChI=1S/C12H14BrN3O/c1-16-7-9(12(13)14-16)5-10-6-11(15-17-10)8-3-2-4-8/h6-8H,2-5H2,1H3
InChIKeyFEUYZWQFSUJQCO-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.03
Rot. Bonds3

About 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole

5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole (PubChem CID 164719469) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole
PubChem CID164719469
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole
SMILESCn1cc(Cc2cc(C3CCC3)no2)c(Br)n1
InChIInChI=1S/C12H14BrN3O/c1-16-7-9(12(13)14-16)5-10-6-11(15-17-10)8-3-2-4-8/h6-8H,2-5H2,1H3
InChIKeyFEUYZWQFSUJQCO-UHFFFAOYSA-N
XLogP3.03
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole?
The IUPAC name of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole (CID 164719469) is 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole.
What is the SMILES notation for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole?
The canonical SMILES for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole is Cn1cc(Cc2cc(C3CCC3)no2)c(Br)n1.
What is the InChIKey of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole?
The InChIKey is FEUYZWQFSUJQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-7-9(12(13)14-16)5-10-6-11(15-17-10)8-3-2-4-8/h6-8H,2-5H2,1H3.
What are the key properties of 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole?
5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole has a molecular weight of 296.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-1-methylpyrazol-4-yl)methyl]-3-cyclobutyl-1,2-oxazole is sourced from PubChem (CID 164719469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).