2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline

C11H11FN2OS — CID 106925735

IUPAC2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline
SMILESFc1ccccc1NCCSc1ncco1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-2-4-10(9)13-6-8-16-11-14-5-7-15-11/h1-5,7,13H,6,8H2
InChIKeyXFODYXBMYILGEM-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.02
Rot. Bonds5

About 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline

2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline (PubChem CID 106925735) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline
PubChem CID106925735
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline
SMILESFc1ccccc1NCCSc1ncco1
InChIInChI=1S/C11H11FN2OS/c12-9-3-1-2-4-10(9)13-6-8-16-11-14-5-7-15-11/h1-5,7,13H,6,8H2
InChIKeyXFODYXBMYILGEM-UHFFFAOYSA-N
XLogP3.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline?
The IUPAC name of 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline (CID 106925735) is 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline is Fc1ccccc1NCCSc1ncco1.
What is the InChIKey of 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline?
The InChIKey is XFODYXBMYILGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-9-3-1-2-4-10(9)13-6-8-16-11-14-5-7-15-11/h1-5,7,13H,6,8H2.
What are the key properties of 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline?
2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline has a molecular weight of 238.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]aniline is sourced from PubChem (CID 106925735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).