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

C9H7FN2OS — CID 106921307

IUPAC5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C9H7FN2OS/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,11H2
InChIKeyVNVNZXNDAHYQSW-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.55
Rot. Bonds2

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

5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921307) has the molecular formula C9H7FN2OS and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921307
Molecular FormulaC9H7FN2OS
Molecular Weight210.23 g/mol
Exact Mass210.03
IUPAC Name5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(F)ccc1Sc1ncco1
InChIInChI=1S/C9H7FN2OS/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,11H2
InChIKeyVNVNZXNDAHYQSW-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

(1S)-1-[5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanamine
CID 106923107
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921442
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372
4-methoxy-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921313
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
N-(2-amino-5-fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)acetamide
CID 106921808
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
5-(1,3-oxazol-2-ylsulfanyl)pyrazin-2-amine
CID 106928163
1-[5-methyl-2-(1,3-oxazol-2-ylsulfanyl)phenyl]butan-2-amine
CID 114057670
N-[[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methyl]propan-2-amine
CID 106926423
3-fluoro-5-(1,3-oxazol-2-ylsulfanylmethyl)aniline
CID 106921777
2-bromo-3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzoic acid
CID 107540893

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921307) is 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline is Nc1cc(F)ccc1Sc1ncco1.
What is the InChIKey of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is VNVNZXNDAHYQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2OS/c10-6-1-2-8(7(11)5-6)14-9-12-3-4-13-9/h1-5H,11H2.
What are the key properties of 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline?
5-fluoro-2-(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 5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).