3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline

C9H7FN2OS — CID 106921372

IUPAC3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(F)cc(Sc2ncco2)c1
InChIInChI=1S/C9H7FN2OS/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H,11H2
InChIKeyFMAMPTSWRFWHGK-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.55
Rot. Bonds2

About 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline

3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921372) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921372
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(F)cc(Sc2ncco2)c1
InChIInChI=1S/C9H7FN2OS/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H,11H2
InChIKeyFMAMPTSWRFWHGK-UHFFFAOYSA-N
XLogP2.55
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.55
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

3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
3-methoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921428
2-(3-fluoro-5-nitrophenyl)sulfanyl-1,3-oxazole
CID 106923378
3-ethoxy-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921311
3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
3-fluoro-5-pyrazin-2-ylsulfanylaniline
CID 63380979
5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921307
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
CID 106921680
2-(3-amino-5-fluorophenyl)sulfanylpyrimidine-4,6-diamine
CID 61297881
3-fluoro-5-(4-fluorophenyl)sulfanylaniline
CID 60876908
(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921446

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921372) is 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline is Nc1cc(F)cc(Sc2ncco2)c1.
What is the InChIKey of 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is FMAMPTSWRFWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-6-3-7(11)5-8(4-6)14-9-12-1-2-13-9/h1-5H,11H2.
What are the key properties of 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline?
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 210.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).