2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide

C17H12F2N2O2S — CID 166365803

IUPAC2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)o1)c1ccccc1SC(F)F
InChIInChI=1S/C17H12F2N2O2S/c18-16(19)24-14-9-5-4-8-12(14)15(22)21-17-20-10-13(23-17)11-6-2-1-3-7-11/h1-10,16H,(H,20,21,22)
InChIKeyAWNHRIRDFPZDIM-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.91
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide

2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 166365803) has the molecular formula C17H12F2N2O2S and a molecular weight of 346.36 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID166365803
Molecular FormulaC17H12F2N2O2S
Molecular Weight346.36 g/mol
Exact Mass346.06
IUPAC Name2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)o1)c1ccccc1SC(F)F
InChIInChI=1S/C17H12F2N2O2S/c18-16(19)24-14-9-5-4-8-12(14)15(22)21-17-20-10-13(23-17)11-6-2-1-3-7-11/h1-10,16H,(H,20,21,22)
InChIKeyAWNHRIRDFPZDIM-UHFFFAOYSA-N
XLogP4.91
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-phenyl-1,3-oxazol-2-yl)urea
CID 150463239
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929
2-(difluoromethylsulfanyl)-N-(1H-imidazol-2-yl)benzamide
CID 55027696
2-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]benzamide
CID 122356294
2-methylsulfanyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 7565083
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanedioic acid
CID 78910261
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylsulfanylphenyl)benzamide
CID 100506347
(2R)-2-[[2-(difluoromethylsulfanyl)benzoyl]amino]propanoic acid
CID 54990748
2-[[2-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 43387400
1-[(1S)-1-cyclopropylethyl]-3-(5-phenyl-1,3-oxazol-2-yl)urea
CID 178134807
N-tert-butyl-2-(difluoromethylsulfanyl)benzamide
CID 60645913
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 36704097

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 166365803) is 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide is O=C(Nc1ncc(-c2ccccc2)o1)c1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is AWNHRIRDFPZDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2S/c18-16(19)24-14-9-5-4-8-12(14)15(22)21-17-20-10-13(23-17)11-6-2-1-3-7-11/h1-10,16H,(H,20,21,22).
What are the key properties of 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide?
2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 346.36 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 166365803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).