3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde

C11H7Br2NO3 — CID 107738404

IUPAC3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2ccno2)c(Br)c1
InChIInChI=1S/C11H7Br2NO3/c12-9-3-7(5-15)4-10(13)11(9)16-6-8-1-2-14-17-8/h1-5H,6H2
InChIKeyAYYIRRBVQHDFDN-UHFFFAOYSA-N
MW360.99 g/mol
LogP3.59
Rot. Bonds4

About 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde

3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde (PubChem CID 107738404) has the molecular formula C11H7Br2NO3 and a molecular weight of 360.99 g/mol. Its IUPAC name is 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
PubChem CID107738404
Molecular FormulaC11H7Br2NO3
Molecular Weight360.99 g/mol
Exact Mass358.88
IUPAC Name3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(Br)c(OCc2ccno2)c(Br)c1
InChIInChI=1S/C11H7Br2NO3/c12-9-3-7(5-15)4-10(13)11(9)16-6-8-1-2-14-17-8/h1-5H,6H2
InChIKeyAYYIRRBVQHDFDN-UHFFFAOYSA-N
XLogP3.59
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.99
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 28838332
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333
5-chloro-3-methoxy-2-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 104665448
3,5-dibromo-4-[(2,6-difluorophenyl)methoxy]benzaldehyde
CID 107738201
3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738118
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
3-bromo-5-methoxy-4-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62700117
3,5-dibromo-4-[(3-chlorophenyl)methoxy]benzaldehyde
CID 4770151
3,5-dibromo-4-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 107738328
3,5-dibromo-4-(3-bromopropoxy)benzaldehyde
CID 86075409
3,5-dibromo-4-[(3-methylimidazol-4-yl)methoxy]benzaldehyde
CID 107738138

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The IUPAC name of 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde (CID 107738404) is 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde is O=Cc1cc(Br)c(OCc2ccno2)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
The InChIKey is AYYIRRBVQHDFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NO3/c12-9-3-7(5-15)4-10(13)11(9)16-6-8-1-2-14-17-8/h1-5H,6H2.
What are the key properties of 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde?
3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde has a molecular weight of 360.99 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde is sourced from PubChem (CID 107738404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).