5-bromo-2-pyrimidin-5-yl-1,3-oxazole

C7H4BrN3O — CID 130055340

IUPAC5-bromo-2-pyrimidin-5-yl-1,3-oxazole
SMILESBrc1cnc(-c2cncnc2)o1
InChIInChI=1S/C7H4BrN3O/c8-6-3-11-7(12-6)5-1-9-4-10-2-5/h1-4H
InChIKeyOGIPQRFJBRCCQF-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.89
Rot. Bonds1

About 5-bromo-2-pyrimidin-5-yl-1,3-oxazole

5-bromo-2-pyrimidin-5-yl-1,3-oxazole (PubChem CID 130055340) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 5-bromo-2-pyrimidin-5-yl-1,3-oxazole.

Molecular Properties

Compound Name5-bromo-2-pyrimidin-5-yl-1,3-oxazole
PubChem CID130055340
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name5-bromo-2-pyrimidin-5-yl-1,3-oxazole
SMILESBrc1cnc(-c2cncnc2)o1
InChIInChI=1S/C7H4BrN3O/c8-6-3-11-7(12-6)5-1-9-4-10-2-5/h1-4H
InChIKeyOGIPQRFJBRCCQF-UHFFFAOYSA-N
XLogP1.89
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrimidin-5-yl-1,3-oxazole?
The IUPAC name of 5-bromo-2-pyrimidin-5-yl-1,3-oxazole (CID 130055340) is 5-bromo-2-pyrimidin-5-yl-1,3-oxazole.
What is the SMILES notation for 5-bromo-2-pyrimidin-5-yl-1,3-oxazole?
The canonical SMILES for 5-bromo-2-pyrimidin-5-yl-1,3-oxazole is Brc1cnc(-c2cncnc2)o1.
What is the InChIKey of 5-bromo-2-pyrimidin-5-yl-1,3-oxazole?
The InChIKey is OGIPQRFJBRCCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-6-3-11-7(12-6)5-1-9-4-10-2-5/h1-4H.
What are the key properties of 5-bromo-2-pyrimidin-5-yl-1,3-oxazole?
5-bromo-2-pyrimidin-5-yl-1,3-oxazole has a molecular weight of 226.03 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrimidin-5-yl-1,3-oxazole is sourced from PubChem (CID 130055340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).