2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole

C9H9BrN4O — CID 126901538

IUPAC2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
SMILESBrc1cnn(C2CN(c3ncco3)C2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-12-14(4-7)8-5-13(6-8)9-11-1-2-15-9/h1-4,8H,5-6H2
InChIKeyFRMBJOFEYAOPKW-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.69
Rot. Bonds2

About 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole

2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole (PubChem CID 126901538) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
PubChem CID126901538
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
SMILESBrc1cnn(C2CN(c3ncco3)C2)c1
InChIInChI=1S/C9H9BrN4O/c10-7-3-12-14(4-7)8-5-13(6-8)9-11-1-2-15-9/h1-4,8H,5-6H2
InChIKeyFRMBJOFEYAOPKW-UHFFFAOYSA-N
XLogP1.69
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole?
The IUPAC name of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole (CID 126901538) is 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole.
What is the SMILES notation for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole?
The canonical SMILES for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole is Brc1cnn(C2CN(c3ncco3)C2)c1.
What is the InChIKey of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole?
The InChIKey is FRMBJOFEYAOPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c10-7-3-12-14(4-7)8-5-13(6-8)9-11-1-2-15-9/h1-4,8H,5-6H2.
What are the key properties of 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole?
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole has a molecular weight of 269.10 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole is sourced from PubChem (CID 126901538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).