5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde

C10H7FN2O2S — CID 63802222

IUPAC5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
SMILESCc1nnc(Sc2ccc(F)cc2C=O)o1
InChIInChI=1S/C10H7FN2O2S/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-5H,1H3
InChIKeyUTASGZDOOVKTNQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.48
Rot. Bonds3

About 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde

5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde (PubChem CID 63802222) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde.

Molecular Properties

Compound Name5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
PubChem CID63802222
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
SMILESCc1nnc(Sc2ccc(F)cc2C=O)o1
InChIInChI=1S/C10H7FN2O2S/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-5H,1H3
InChIKeyUTASGZDOOVKTNQ-UHFFFAOYSA-N
XLogP2.48
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde?
The IUPAC name of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde (CID 63802222) is 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde.
What is the SMILES notation for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde?
The canonical SMILES for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde is Cc1nnc(Sc2ccc(F)cc2C=O)o1.
What is the InChIKey of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde?
The InChIKey is UTASGZDOOVKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c1-6-12-13-10(15-6)16-9-3-2-8(11)4-7(9)5-14/h2-5H,1H3.
What are the key properties of 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde?
5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde has a molecular weight of 238.24 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde is sourced from PubChem (CID 63802222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).