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

C10H9FN2OS — CID 106921533

IUPAC4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)ccc2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3
InChIKeyUVKKUMFPZWGALV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

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

4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921533) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921533
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)ccc2N)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3
InChIKeyUVKKUMFPZWGALV-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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Related Compounds

2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-5-fluoroaniline
CID 54882190
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-4-fluoroaniline
CID 79147535
4-Fluoro-2-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 81952293
5-Fluoro-2-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 81952341
4-Chloro-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 105611412
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
4-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921375
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921440
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-5-(trifluoromethyl)aniline
CID 106921458
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921465
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921482
5-Bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921533) is 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(F)ccc2N)n1.
What is the InChIKey of 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is UVKKUMFPZWGALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-4-7(11)2-3-8(9)12/h2-5H,12H2,1H3.
What are the key properties of 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]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 4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).