4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde

C11H8BrNO3 — CID 82134718

IUPAC4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1ncoc1C=O
InChIInChI=1S/C11H8BrNO3/c1-15-9-3-2-7(12)4-8(9)11-10(5-14)16-6-13-11/h2-6H,1H3
InChIKeyRCCYRXVOZKOOLS-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.93
Rot. Bonds3

About 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde

4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde (PubChem CID 82134718) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
PubChem CID82134718
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde
SMILESCOc1ccc(Br)cc1-c1ncoc1C=O
InChIInChI=1S/C11H8BrNO3/c1-15-9-3-2-7(12)4-8(9)11-10(5-14)16-6-13-11/h2-6H,1H3
InChIKeyRCCYRXVOZKOOLS-UHFFFAOYSA-N
XLogP2.93
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde (CID 82134718) is 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde is COc1ccc(Br)cc1-c1ncoc1C=O.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is RCCYRXVOZKOOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-15-9-3-2-7(12)4-8(9)11-10(5-14)16-6-13-11/h2-6H,1H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde?
4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde has a molecular weight of 282.09 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 82134718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).