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

C10H9FN2OS — CID 106921482

IUPAC3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2ccc(N)cc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyDJWRXIFTTUIYIB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.86
Rot. Bonds2

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

3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921482) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921482
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2ccc(N)cc2F)n1
InChIInChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChIKeyDJWRXIFTTUIYIB-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

4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-3-fluoroaniline
CID 54882189
4-[(4,5-Dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-2-fluoroaniline
CID 79140560
3-Fluoro-4-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 81952340
2-Fluoro-4-[(5-methyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 81952342
Ethyl 2-(4-amino-2,6-difluorophenyl)sulfanyl-1,3-oxazole-4-carboxylate
CID 104116309
4-Chloro-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 105611412
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921322
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
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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921482) is 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2ccc(N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is DJWRXIFTTUIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3.
What are the key properties of 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
3-fluoro-4-[(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 3-fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).