3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one

C10H13BrN2O2 — CID 106376506

IUPAC3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
SMILESCc1cnc(CN2CCCC(Br)C2=O)o1
InChIInChI=1S/C10H13BrN2O2/c1-7-5-12-9(15-7)6-13-4-2-3-8(11)10(13)14/h5,8H,2-4,6H2,1H3
InChIKeyYYEPZVWEBZAGBN-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.87
Rot. Bonds2

About 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one

3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one (PubChem CID 106376506) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
PubChem CID106376506
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one
SMILESCc1cnc(CN2CCCC(Br)C2=O)o1
InChIInChI=1S/C10H13BrN2O2/c1-7-5-12-9(15-7)6-13-4-2-3-8(11)10(13)14/h5,8H,2-4,6H2,1H3
InChIKeyYYEPZVWEBZAGBN-UHFFFAOYSA-N
XLogP1.87
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.87
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

3-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-one
CID 106373170
3-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane-2,5-dione
CID 114180954
1-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 106377091
3-bromo-1-[(3-methyl-4-pyridinyl)methyl]piperidin-2-one
CID 114701948
3-bromo-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-2-one
CID 63788058
3-bromo-1-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-2-one
CID 130619913
N-methyl-1-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 119921868
2-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 106376977
2-(cyclobutylmethyl)-5-methyl-1,3-oxazole
CID 119055129
6-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]pyridazin-3-amine
CID 167797903
(3S)-3-[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 124505781
(3R)-3-bromo-1-[(2,4-difluorophenyl)methyl]piperidin-2-one
CID 95362471

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one?
The IUPAC name of 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one (CID 106376506) is 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one is Cc1cnc(CN2CCCC(Br)C2=O)o1.
What is the InChIKey of 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one?
The InChIKey is YYEPZVWEBZAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-7-5-12-9(15-7)6-13-4-2-3-8(11)10(13)14/h5,8H,2-4,6H2,1H3.
What are the key properties of 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one?
3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one has a molecular weight of 273.13 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-2-one is sourced from PubChem (CID 106376506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).