2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H15F2N3O3S — CID 51267605

IUPAC2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CSc2ccc(F)c(F)c2)no1
InChIInChI=1S/C15H15F2N3O3S/c1-9-5-13(19-23-9)18-14(21)7-20(2)15(22)8-24-10-3-4-11(16)12(17)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyJQIRFLDEVCDFHG-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.45
Rot. Bonds6

About 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 51267605) has the molecular formula C15H15F2N3O3S and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID51267605
Molecular FormulaC15H15F2N3O3S
Molecular Weight355.37 g/mol
Exact Mass355.08
IUPAC Name2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CSc2ccc(F)c(F)c2)no1
InChIInChI=1S/C15H15F2N3O3S/c1-9-5-13(19-23-9)18-14(21)7-20(2)15(22)8-24-10-3-4-11(16)12(17)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21)
InChIKeyJQIRFLDEVCDFHG-UHFFFAOYSA-N
XLogP2.45
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 51267545
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetyl]amino]acetamide
CID 51267555
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 134002588
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8680520
3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
2-(butan-2-ylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947783
2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51098094
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2438629
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 86929156
4-hydroxy-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 79203580

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 51267605) is 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)C(=O)CSc2ccc(F)c(F)c2)no1.
What is the InChIKey of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is JQIRFLDEVCDFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O3S/c1-9-5-13(19-23-9)18-14(21)7-20(2)15(22)8-24-10-3-4-11(16)12(17)6-10/h3-6H,7-8H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 51267605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).