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

C10H8BrFN2OS — CID 106921491

IUPAC5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(Br)cc2N)n1
InChIInChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3
InChIKeyQOPPVDXUJRGMCQ-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.62
Rot. Bonds2

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

5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921491) has the molecular formula C10H8BrFN2OS and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921491
Molecular FormulaC10H8BrFN2OS
Molecular Weight303.16 g/mol
Exact Mass301.95
IUPAC Name5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(Br)cc2N)n1
InChIInChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3
InChIKeyQOPPVDXUJRGMCQ-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

5-Bromo-4-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921332
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
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921530
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921533
4-Bromo-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921569
5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
3,4-Difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921578
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921600
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921602
4-Fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921605
2,4-Difluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921491) is 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(F)c(Br)cc2N)n1.
What is the InChIKey of 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is QOPPVDXUJRGMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3.
What are the key properties of 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
5-bromo-4-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 5-bromo-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).