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

C10H8ClFN2OS — CID 106921554

IUPAC5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(Cl)cc2N)n1
InChIInChI=1S/C10H8ClFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3
InChIKeyIBRWFNTZKGCEOV-UHFFFAOYSA-N
MW258.70 g/mol
LogP3.51
Rot. Bonds2

About 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline

5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (PubChem CID 106921554) has the molecular formula C10H8ClFN2OS and a molecular weight of 258.70 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
PubChem CID106921554
Molecular FormulaC10H8ClFN2OS
Molecular Weight258.70 g/mol
Exact Mass258.00
IUPAC Name5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
SMILESCc1coc(Sc2cc(F)c(Cl)cc2N)n1
InChIInChI=1S/C10H8ClFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3
InChIKeyIBRWFNTZKGCEOV-UHFFFAOYSA-N
XLogP3.51
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 53.51
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-Chloro-5-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 105611412
4-Chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-5-fluoroaniline
CID 105611413
5-Chloro-4-fluoro-2-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921397
5-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921465
3-Fluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921482
3-Fluoro-5-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921530
4-Fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921533
5-Fluoro-4-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921571
3,4-Difluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921578
2-Fluoro-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921600
3,5-Difluoro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921602
4-Fluoro-5-iodo-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline
CID 106921605

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The IUPAC name of 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline (CID 106921554) is 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is Cc1coc(Sc2cc(F)c(Cl)cc2N)n1.
What is the InChIKey of 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
The InChIKey is IBRWFNTZKGCEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2OS/c1-5-4-15-10(14-5)16-9-3-7(12)6(11)2-8(9)13/h2-4H,13H2,1H3.
What are the key properties of 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline?
5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline has a molecular weight of 258.70 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 106921554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).