5-bromo-3-piperidin-4-yl-1,2-oxazole

C8H11BrN2O — CID 84726349

IUPAC5-bromo-3-piperidin-4-yl-1,2-oxazole
SMILESBrc1cc(C2CCNCC2)no1
InChIInChI=1S/C8H11BrN2O/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKeyTVXWAUDMBNZJOV-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.90
Rot. Bonds1

About 5-bromo-3-piperidin-4-yl-1,2-oxazole

5-bromo-3-piperidin-4-yl-1,2-oxazole (PubChem CID 84726349) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-3-piperidin-4-yl-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-3-piperidin-4-yl-1,2-oxazole
PubChem CID84726349
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-3-piperidin-4-yl-1,2-oxazole
SMILESBrc1cc(C2CCNCC2)no1
InChIInChI=1S/C8H11BrN2O/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2
InChIKeyTVXWAUDMBNZJOV-UHFFFAOYSA-N
XLogP1.90
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperidin-4-yl-1,2-oxazole?
The IUPAC name of 5-bromo-3-piperidin-4-yl-1,2-oxazole (CID 84726349) is 5-bromo-3-piperidin-4-yl-1,2-oxazole.
What is the SMILES notation for 5-bromo-3-piperidin-4-yl-1,2-oxazole?
The canonical SMILES for 5-bromo-3-piperidin-4-yl-1,2-oxazole is Brc1cc(C2CCNCC2)no1.
What is the InChIKey of 5-bromo-3-piperidin-4-yl-1,2-oxazole?
The InChIKey is TVXWAUDMBNZJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-8-5-7(11-12-8)6-1-3-10-4-2-6/h5-6,10H,1-4H2.
What are the key properties of 5-bromo-3-piperidin-4-yl-1,2-oxazole?
5-bromo-3-piperidin-4-yl-1,2-oxazole has a molecular weight of 231.09 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperidin-4-yl-1,2-oxazole is sourced from PubChem (CID 84726349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).