[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone

C11H8BrNO2 — CID 58159043

IUPAC[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ncc(CBr)o1
InChIInChI=1S/C11H8BrNO2/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyWNUAJZJHYMGKPY-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.80
Rot. Bonds3

About [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone

[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone (PubChem CID 58159043) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone
PubChem CID58159043
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ncc(CBr)o1
InChIInChI=1S/C11H8BrNO2/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyWNUAJZJHYMGKPY-UHFFFAOYSA-N
XLogP2.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.80
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

[5-[2-(dimethylamino)ethyl]-1,3-oxazol-2-yl]-phenylmethanone
CID 141219969
bromomethylbenzene;diphenylmethanone
CID 159613438
(5-benzoylfuran-2-yl)-phenylmethanone
CID 22336637
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
2-bromo-1-phenylethanone;hydrochloride
CID 172844250
[3-(bromomethyl)furan-2-yl]-phenylmethanone
CID 15146339

Frequently Asked Questions

What is the IUPAC name of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone (CID 58159043) is [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1ncc(CBr)o1.
What is the InChIKey of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone?
The InChIKey is WNUAJZJHYMGKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-6-9-7-13-11(15-9)10(14)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone?
[5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone has a molecular weight of 266.09 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(bromomethyl)-1,3-oxazol-2-yl]-phenylmethanone is sourced from PubChem (CID 58159043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).