2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline

C10H9FN2OS — CID 79140828

IUPAC2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline
SMILESNc1ccc(SCc2ccno2)cc1F
InChIInChI=1S/C10H9FN2OS/c11-9-5-8(1-2-10(9)12)15-6-7-3-4-13-14-7/h1-5H,6,12H2
InChIKeyVCOWJRLYNOXKJQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.69
Rot. Bonds3

About 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline

2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline (PubChem CID 79140828) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline
PubChem CID79140828
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline
SMILESNc1ccc(SCc2ccno2)cc1F
InChIInChI=1S/C10H9FN2OS/c11-9-5-8(1-2-10(9)12)15-6-7-3-4-13-14-7/h1-5H,6,12H2
InChIKeyVCOWJRLYNOXKJQ-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)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

CID 43134943
CID 43134943
CID 43303773
CID 43303773
CID 43303782
CID 43303782
CID 43303784
CID 43303784
CID 43304330
CID 43304330
CID 60722728
CID 60722728
CID 60869412
CID 60869412
CID 60869413
CID 60869413
CID 61360226
CID 61360226
CID 63792634
CID 63792634
CID 63792979
CID 63792979
CID 64286383
CID 64286383

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline?
The IUPAC name of 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline (CID 79140828) is 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline.
What is the SMILES notation for 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline?
The canonical SMILES for 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline is Nc1ccc(SCc2ccno2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline?
The InChIKey is VCOWJRLYNOXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-9-5-8(1-2-10(9)12)15-6-7-3-4-13-14-7/h1-5H,6,12H2.
What are the key properties of 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline?
2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline has a molecular weight of 224.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,2-oxazol-5-ylmethylsulfanyl)aniline is sourced from PubChem (CID 79140828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).