2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

C11H9BrN2O2 — CID 63678754

IUPAC2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C11H9BrN2O2/c12-5-11(15)14-9-3-1-2-8(4-9)10-6-13-7-16-10/h1-4,6-7H,5H2,(H,14,15)
InChIKeyBJZHWKLSWRJILT-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.67
Rot. Bonds3

About 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide

2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 63678754) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID63678754
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESO=C(CBr)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C11H9BrN2O2/c12-5-11(15)14-9-3-1-2-8(4-9)10-6-13-7-16-10/h1-4,6-7H,5H2,(H,14,15)
InChIKeyBJZHWKLSWRJILT-UHFFFAOYSA-N
XLogP2.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 47265687
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 55833342
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]but-2-enamide
CID 47353684
N-[3-(1,3-oxazol-5-yl)phenyl]-2-pyrrolidin-3-ylacetamide;hydrochloride
CID 126786580
2-(ethylamino)-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
CID 62835671
2-(methylamino)-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylpropanamide
CID 123157870
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]benzamide
CID 47051399

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide (CID 63678754) is 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide is O=C(CBr)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is BJZHWKLSWRJILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-5-11(15)14-9-3-1-2-8(4-9)10-6-13-7-16-10/h1-4,6-7H,5H2,(H,14,15).
What are the key properties of 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide?
2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 281.11 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 63678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).