5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline

C10H9FN2OS — CID 106921411

IUPAC5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCc1cc(Sc2ncco2)c(N)cc1F
InChIInChI=1S/C10H9FN2OS/c1-6-4-9(8(12)5-7(6)11)15-10-13-2-3-14-10/h2-5H,12H2,1H3
InChIKeyWKYYOPOZCAYBED-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

About 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline

5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921411) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921411
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESCc1cc(Sc2ncco2)c(N)cc1F
InChIInChI=1S/C10H9FN2OS/c1-6-4-9(8(12)5-7(6)11)15-10-13-2-3-14-10/h2-5H,12H2,1H3
InChIKeyWKYYOPOZCAYBED-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921411) is 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline is Cc1cc(Sc2ncco2)c(N)cc1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is WKYYOPOZCAYBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-4-9(8(12)5-7(6)11)15-10-13-2-3-14-10/h2-5H,12H2,1H3.
What are the key properties of 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline?
5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 224.26 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).