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

C11H7F2NO3 — CID 79891546

IUPAC3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(F)c(OCc2cnoc2)c(F)c1
InChIInChI=1S/C11H7F2NO3/c12-9-1-7(4-15)2-10(13)11(9)16-5-8-3-14-17-6-8/h1-4,6H,5H2
InChIKeyNUSZYUICEKHFNH-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.34
Rot. Bonds4

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

3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde (PubChem CID 79891546) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
PubChem CID79891546
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
SMILESO=Cc1cc(F)c(OCc2cnoc2)c(F)c1
InChIInChI=1S/C11H7F2NO3/c12-9-1-7(4-15)2-10(13)11(9)16-5-8-3-14-17-6-8/h1-4,6H,5H2
InChIKeyNUSZYUICEKHFNH-UHFFFAOYSA-N
XLogP2.34
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.34
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-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 79831604
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79891324
4-[(4-fluorophenoxy)methyl]-1,2-oxazole
CID 61227729
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
3,5-difluoro-4-(3-pyridin-4-ylpropoxy)benzaldehyde
CID 79116566
benzene;1,2-oxazole-4-carbaldehyde
CID 174373862
4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79892297
4-but-2-ynoxy-3,5-difluorobenzaldehyde
CID 79891326
3-fluoro-4-methoxy-5-phenylmethoxybenzaldehyde
CID 563706
3,5-dibromo-4-[(3,4-difluorophenyl)methoxy]benzaldehyde
CID 107738333

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde?
The IUPAC name of 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde (CID 79891546) is 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde is O=Cc1cc(F)c(OCc2cnoc2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde?
The InChIKey is NUSZYUICEKHFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c12-9-1-7(4-15)2-10(13)11(9)16-5-8-3-14-17-6-8/h1-4,6H,5H2.
What are the key properties of 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde?
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde has a molecular weight of 239.18 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde is sourced from PubChem (CID 79891546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).