3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde

C11H8FNO2S — CID 106926374

IUPAC3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde
SMILESCc1coc(Sc2ccc(C=O)cc2F)n1
InChIInChI=1S/C11H8FNO2S/c1-7-6-15-11(13-7)16-10-3-2-8(5-14)4-9(10)12/h2-6H,1H3
InChIKeyAQPFOZBYNBDCFT-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.09
Rot. Bonds3

About 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde

3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde (PubChem CID 106926374) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde
PubChem CID106926374
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde
SMILESCc1coc(Sc2ccc(C=O)cc2F)n1
InChIInChI=1S/C11H8FNO2S/c1-7-6-15-11(13-7)16-10-3-2-8(5-14)4-9(10)12/h2-6H,1H3
InChIKeyAQPFOZBYNBDCFT-UHFFFAOYSA-N
XLogP3.09
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.09
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

(E)-1-(4-fluorophenyl)-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]prop-2-en-1-one
CID 129175087
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 9457338
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520139
1-(2,5-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520140
1-(2,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520176
1-(2-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520225
1-(3,4-Difluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one
CID 103520241
1-(4-Fluorophenyl)-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]ethanone
CID 103520252
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 103525447
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-1-(4-fluorophenyl)propan-1-one
CID 103607407
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzoic acid
CID 106921125
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)benzoic acid
CID 106921126

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde (CID 106926374) is 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde is Cc1coc(Sc2ccc(C=O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde?
The InChIKey is AQPFOZBYNBDCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-7-6-15-11(13-7)16-10-3-2-8(5-14)4-9(10)12/h2-6H,1H3.
What are the key properties of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde?
3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde has a molecular weight of 237.25 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzaldehyde is sourced from PubChem (CID 106926374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).