2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline

C13H14F2N2OS — CID 54882193

IUPAC2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2SC(F)F)oc1C
InChIInChI=1S/C13H14F2N2OS/c1-8-9(2)18-12(17-8)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3
InChIKeyIDYFMPREHFYOLI-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.22
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline

2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 54882193) has the molecular formula C13H14F2N2OS and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID54882193
Molecular FormulaC13H14F2N2OS
Molecular Weight284.33 g/mol
Exact Mass284.08
IUPAC Name2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCc1nc(CNc2ccccc2SC(F)F)oc1C
InChIInChI=1S/C13H14F2N2OS/c1-8-9(2)18-12(17-8)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3
InChIKeyIDYFMPREHFYOLI-UHFFFAOYSA-N
XLogP4.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline (CID 54882193) is 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline is Cc1nc(CNc2ccccc2SC(F)F)oc1C.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is IDYFMPREHFYOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2OS/c1-8-9(2)18-12(17-8)7-16-10-5-3-4-6-11(10)19-13(14)15/h3-6,13,16H,7H2,1-2H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline?
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 284.33 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 54882193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).