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

C9H6FIN2OS — CID 106921445

IUPAC4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(I)c(F)cc1Sc1ncco1
InChIInChI=1S/C9H6FIN2OS/c10-5-3-8(7(12)4-6(5)11)15-9-13-1-2-14-9/h1-4H,12H2
InChIKeyLOWANMWDKCOALK-UHFFFAOYSA-N
MW336.13 g/mol
LogP3.15
Rot. Bonds2

About 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline

4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline (PubChem CID 106921445) has the molecular formula C9H6FIN2OS and a molecular weight of 336.13 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline
PubChem CID106921445
Molecular FormulaC9H6FIN2OS
Molecular Weight336.13 g/mol
Exact Mass335.92
IUPAC Name4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline
SMILESNc1cc(I)c(F)cc1Sc1ncco1
InChIInChI=1S/C9H6FIN2OS/c10-5-3-8(7(12)4-6(5)11)15-9-13-1-2-14-9/h1-4H,12H2
InChIKeyLOWANMWDKCOALK-UHFFFAOYSA-N
XLogP3.15
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
4-Bromo-5-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921409
5-Fluoro-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921411

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The IUPAC name of 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline (CID 106921445) is 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline.
What is the SMILES notation for 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The canonical SMILES for 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline is Nc1cc(I)c(F)cc1Sc1ncco1.
What is the InChIKey of 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline?
The InChIKey is LOWANMWDKCOALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIN2OS/c10-5-3-8(7(12)4-6(5)11)15-9-13-1-2-14-9/h1-4H,12H2.
What are the key properties of 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline?
4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline has a molecular weight of 336.13 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-(1,3-oxazol-2-ylsulfanyl)aniline is sourced from PubChem (CID 106921445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).