2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline

C9H6F2N2OS — CID 106921449

IUPAC2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1c(F)cc(F)cc1Sc1ncco1
InChIInChI=1S/C9H6F2N2OS/c10-5-3-6(11)8(12)7(4-5)15-9-13-1-2-14-9/h1-4H,12H2
InChIKeyMOJNVLRIRGLHTP-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.69
Rot. Bonds2

About 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline

2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921449) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921449
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1c(F)cc(F)cc1Sc1ncco1
InChIInChI=1S/C9H6F2N2OS/c10-5-3-6(11)8(12)7(4-5)15-9-13-1-2-14-9/h1-4H,12H2
InChIKeyMOJNVLRIRGLHTP-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.69
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-(difluoromethylsulfanyl)-N-(1,3-oxazol-5-ylmethyl)aniline
CID 65966086
N-(1,3-oxazol-5-ylmethyl)-2-(trifluoromethylsulfanyl)aniline
CID 65966762
4-Chloro-5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 105611411
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)aniline
CID 106921301
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921322
5-Bromo-4-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921332
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
4-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921375
4-(1,3-Oxazol-2-ylsulfanyl)-3-(trifluoromethyl)aniline
CID 106921387
3-(Difluoromethyl)-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921389
5-Chloro-4-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921397

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921449) is 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline is Nc1c(F)cc(F)cc1Sc1ncco1.
What is the InChIKey of 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is MOJNVLRIRGLHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-5-3-6(11)8(12)7(4-5)15-9-13-1-2-14-9/h1-4H,12H2.
What are the key properties of 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline?
2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 228.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).