2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole

C9H13BrN2O — CID 117192193

IUPAC2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1ncc(CN2CCCCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-11-6-8(13-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2
InChIKeyGBTNHFWPOZBDRS-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.42
Rot. Bonds2

About 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole

2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole (PubChem CID 117192193) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
PubChem CID117192193
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole
SMILESBrc1ncc(CN2CCCCC2)o1
InChIInChI=1S/C9H13BrN2O/c10-9-11-6-8(13-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2
InChIKeyGBTNHFWPOZBDRS-UHFFFAOYSA-N
XLogP2.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole (CID 117192193) is 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole is Brc1ncc(CN2CCCCC2)o1.
What is the InChIKey of 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole?
The InChIKey is GBTNHFWPOZBDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c10-9-11-6-8(13-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2.
What are the key properties of 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole?
2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole has a molecular weight of 245.12 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(piperidin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 117192193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).