2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C13H12F2N2O2S — CID 51098094

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-7-13(8(2)19-17-7)16-12(18)6-20-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyYCGFRFYBSKLNKI-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.30
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 51098094) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID51098094
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1NC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-7-13(8(2)19-17-7)16-12(18)6-20-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3,(H,16,18)
InChIKeyYCGFRFYBSKLNKI-UHFFFAOYSA-N
XLogP3.30
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 9055689
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
2-(3,4-difluorophenyl)sulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 47126211
N-(4-bromo-2-methylphenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055699
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 51267605
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 43345163
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
2-(3,4-difluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528029
N-(3-chlorophenyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 9055593
(2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 54990911
2-(3,4-difluorophenyl)sulfanyl-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 49423914
2-(3,4-difluorophenyl)sulfanyl-N-naphthalen-2-ylacetamide
CID 7736930

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 51098094) is 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1NC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is YCGFRFYBSKLNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-7-13(8(2)19-17-7)16-12(18)6-20-9-3-4-10(14)11(15)5-9/h3-5H,6H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 298.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 51098094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).