1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone

C12H10BrNO3 — CID 103804028

IUPAC1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1ccno1
InChIInChI=1S/C12H10BrNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6H,7H2,1H3
InChIKeyHHOXDSRMFUOXQA-UHFFFAOYSA-N
MW296.12 g/mol
LogP3.22
Rot. Bonds4

About 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone

1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone (PubChem CID 103804028) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
PubChem CID103804028
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1ccc(Br)cc1OCc1ccno1
InChIInChI=1S/C12H10BrNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6H,7H2,1H3
InChIKeyHHOXDSRMFUOXQA-UHFFFAOYSA-N
XLogP3.22
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 28782316
1-[4-bromo-2-[(5-bromo-2-fluorophenyl)methoxy]phenyl]ethanone
CID 102948055
1-[5-bromo-3-nitro-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 116541782
1-[4-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102948099
1-[4-bromo-2-[(5-bromo-2-methoxyphenyl)methoxy]phenyl]ethanone
CID 102948039
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]-N-ethylethanamine
CID 102947607
1-[6-(1,2-oxazol-5-ylmethoxy)naphthalen-2-yl]ethanone
CID 71863244
1-[4-bromo-2-[(2-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanone
CID 102947956
1-[4-bromo-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]ethanone
CID 113265047
3-[(2-acetyl-5-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 102948082
1-(4-bromo-2-pentoxyphenyl)ethanone
CID 82972299
1-[4-bromo-2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 82972076

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone (CID 103804028) is 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone is CC(=O)c1ccc(Br)cc1OCc1ccno1.
What is the InChIKey of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone?
The InChIKey is HHOXDSRMFUOXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-8(15)11-3-2-9(13)6-12(11)16-7-10-4-5-14-17-10/h2-6H,7H2,1H3.
What are the key properties of 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone?
1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone has a molecular weight of 296.12 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 103804028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).