[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

C11H15BrN2O2 — CID 80666279

IUPAC[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCCCC1CCBr
InChIInChI=1S/C11H15BrN2O2/c12-6-4-9-3-1-2-7-14(9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2
InChIKeyKCZADTHOTRWFIX-UHFFFAOYSA-N
MW287.16 g/mol
LogP2.45
Rot. Bonds3

About [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone

[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 80666279) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID80666279
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESO=C(c1ccon1)N1CCCCC1CCBr
InChIInChI=1S/C11H15BrN2O2/c12-6-4-9-3-1-2-7-14(9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2
InChIKeyKCZADTHOTRWFIX-UHFFFAOYSA-N
XLogP2.45
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[2-(2-bromoethyl)piperidin-1-yl]-(2-chlorofuran-3-yl)methanone
CID 106689928
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
[2-(2-bromoethyl)piperidin-1-yl]-(4-bromophenyl)methanone
CID 80666598
[2-(2-bromoethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922727
[2-(2-bromoethyl)piperidin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 80666601
[2-(2-bromoethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 80665148
[2-(2-bromoethyl)piperidin-1-yl]-(5-chloro-2-hydroxyphenyl)methanone
CID 80665142
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(bromomethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80659175
1-[2-(2-bromoethyl)piperidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 80665660
[2-(2-bromoethyl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 80665458
(5-bromo-2-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62958660

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 80666279) is [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is O=C(c1ccon1)N1CCCCC1CCBr.
What is the InChIKey of [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is KCZADTHOTRWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-6-4-9-3-1-2-7-14(9)11(15)10-5-8-16-13-10/h5,8-9H,1-4,6-7H2.
What are the key properties of [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 287.16 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromoethyl)piperidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 80666279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).