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

C10H8F2N2OS — CID 106921578

IUPAC3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2c(N)ccc(F)c2F)n1
InChIInChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-9-7(13)3-2-6(11)8(9)12/h2-4H,13H2,1H3
InChIKeyQPYLHIUOPBKGRK-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.99
Rot. Bonds2

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

3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921578) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921578
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2c(N)ccc(F)c2F)n1
InChIInChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-9-7(13)3-2-6(11)8(9)12/h2-4H,13H2,1H3
InChIKeyQPYLHIUOPBKGRK-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.99
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

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
3,4-Difluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921418
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
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)aniline
CID 106921526
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-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-(trifluoromethyl)aniline
CID 106921545

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921578) is 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2c(N)ccc(F)c2F)n1.
What is the InChIKey of 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is QPYLHIUOPBKGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c1-5-4-15-10(14-5)16-9-7(13)3-2-6(11)8(9)12/h2-4H,13H2,1H3.
What are the key properties of 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 242.25 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).