3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde

C12H9F2NO3 — CID 79831604

IUPAC3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2c(F)cc(C=O)cc2F)no1
InChIInChI=1S/C12H9F2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-5H,6H2,1H3
InChIKeyKCCRZWKUYMMQAT-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.65
Rot. Bonds4

About 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde

3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde (PubChem CID 79831604) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
PubChem CID79831604
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
SMILESCc1cc(COc2c(F)cc(C=O)cc2F)no1
InChIInChI=1S/C12H9F2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-5H,6H2,1H3
InChIKeyKCCRZWKUYMMQAT-UHFFFAOYSA-N
XLogP2.65
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.65
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

5-bromo-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde
CID 112620556
1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
CID 79882774
5-methyl-3-[(2,4,6-tribromophenoxy)methyl]-1,2-oxazole
CID 112797269
4-[(5-methyl-1,2-oxazol-3-yl)methoxy]-3-nitrobenzaldehyde
CID 8951271
2-[3-fluoro-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanamine
CID 112615166
3,5-difluoro-4-(1,2-oxazol-4-ylmethoxy)benzaldehyde
CID 79891546
4-but-2-ynoxy-3,5-difluorobenzaldehyde
CID 79891326
4-[[1-(4-chlorophenyl)triazol-4-yl]methoxy]-3,5-difluorobenzaldehyde
CID 99599284
4-(3-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79891324
[3,5-dibromo-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methanol
CID 107738846
2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-4-propoxybenzaldehyde
CID 43388404
4-[(2-bromo-5-methoxyphenyl)methoxy]-3,5-difluorobenzaldehyde
CID 79884305

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde?
The IUPAC name of 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde (CID 79831604) is 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde?
The canonical SMILES for 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde is Cc1cc(COc2c(F)cc(C=O)cc2F)no1.
What is the InChIKey of 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde?
The InChIKey is KCCRZWKUYMMQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-7-2-9(15-18-7)6-17-12-10(13)3-8(5-16)4-11(12)14/h2-5H,6H2,1H3.
What are the key properties of 3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde?
3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde has a molecular weight of 253.20 g/mol, XLogP of 2.65, 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-[(5-methyl-1,2-oxazol-3-yl)methoxy]benzaldehyde is sourced from PubChem (CID 79831604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).