3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

C12H10Br2N2O3 — CID 107738118

IUPAC3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCc1noc(COc2c(Br)cc(C=O)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O3/c1-2-10-15-11(19-16-10)6-18-12-8(13)3-7(5-17)4-9(12)14/h3-5H,2,6H2,1H3
InChIKeyIFAAQHZNBXWUAQ-UHFFFAOYSA-N
MW390.03 g/mol
LogP3.55
Rot. Bonds5

About 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde

3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 107738118) has the molecular formula C12H10Br2N2O3 and a molecular weight of 390.03 g/mol. Its IUPAC name is 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID107738118
Molecular FormulaC12H10Br2N2O3
Molecular Weight390.03 g/mol
Exact Mass387.91
IUPAC Name3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCc1noc(COc2c(Br)cc(C=O)cc2Br)n1
InChIInChI=1S/C12H10Br2N2O3/c1-2-10-15-11(19-16-10)6-18-12-8(13)3-7(5-17)4-9(12)14/h3-5H,2,6H2,1H3
InChIKeyIFAAQHZNBXWUAQ-UHFFFAOYSA-N
XLogP3.55
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.03
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
3-bromo-5-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495152
N-[[5-bromo-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115961132
[3-bromo-5-ethoxy-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 43627156
2-[3-bromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-5-methoxyphenyl]ethanamine
CID 60905776
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-nitrobenzaldehyde
CID 62116418
5-[(2-bromophenoxy)methyl]-3-ethyl-1,2,4-oxadiazole
CID 28782458
[3,5-dibromo-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 107741561
N-[[3,5-dichloro-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 60887514
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882467
3,5-dibromo-4-(1,2-oxazol-5-ylmethoxy)benzaldehyde
CID 107738404
3,5-dibromo-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 107738309

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 107738118) is 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is CCc1noc(COc2c(Br)cc(C=O)cc2Br)n1.
What is the InChIKey of 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is IFAAQHZNBXWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O3/c1-2-10-15-11(19-16-10)6-18-12-8(13)3-7(5-17)4-9(12)14/h3-5H,2,6H2,1H3.
What are the key properties of 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 390.03 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 107738118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).