5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline

C10H10FN3OS — CID 43304326

IUPAC5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(F)cc2N)no1
InChIInChI=1S/C10H10FN3OS/c1-6-13-10(14-15-6)5-16-9-3-2-7(11)4-8(9)12/h2-4H,5,12H2,1H3
InChIKeyAFDINFVIRXILAU-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.39
Rot. Bonds3

About 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline

5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline (PubChem CID 43304326) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
PubChem CID43304326
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline
SMILESCc1nc(CSc2ccc(F)cc2N)no1
InChIInChI=1S/C10H10FN3OS/c1-6-13-10(14-15-6)5-16-9-3-2-7(11)4-8(9)12/h2-4H,5,12H2,1H3
InChIKeyAFDINFVIRXILAU-UHFFFAOYSA-N
XLogP2.39
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline?
The IUPAC name of 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline (CID 43304326) is 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline.
What is the SMILES notation for 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline?
The canonical SMILES for 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline is Cc1nc(CSc2ccc(F)cc2N)no1.
What is the InChIKey of 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline?
The InChIKey is AFDINFVIRXILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-6-13-10(14-15-6)5-16-9-3-2-7(11)4-8(9)12/h2-4H,5,12H2,1H3.
What are the key properties of 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline?
5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline has a molecular weight of 239.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43304326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).