4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

C10H8BrFN2OS — CID 106921569

IUPAC4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(Br)c(F)cc2N)n1
InChIInChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3
InChIKeyFKOSTGFMHINXLZ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.62
Rot. Bonds2

About 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921569) has the molecular formula C10H8BrFN2OS and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921569
Molecular FormulaC10H8BrFN2OS
Molecular Weight303.16 g/mol
Exact Mass301.95
IUPAC Name4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(Br)c(F)cc2N)n1
InChIInChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3
InChIKeyFKOSTGFMHINXLZ-UHFFFAOYSA-N
XLogP3.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.62
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

3-bromo-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921558
4-bromo-5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 116736865
(1S)-1-[5-fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923201
4-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]benzonitrile
CID 106921522
5-bromo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyridin-3-amine
CID 106921576
4-bromo-2-ethylsulfanyl-5-fluoroaniline
CID 116736796
4-bromo-5-fluoro-2-(1H-imidazol-2-ylsulfanyl)aniline
CID 107779438
5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]isoquinolin-8-amine
CID 106921485
6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 106928531
2-methoxy-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921500
1-[3-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 106923212
3-chloro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921507

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921569) is 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(Br)c(F)cc2N)n1.
What is the InChIKey of 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is FKOSTGFMHINXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-2-6(11)7(12)3-8(9)13/h2-4H,13H2,1H3.
What are the key properties of 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 303.16 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).