N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

C15H18N2O2S — CID 7799430

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(SCC(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-9-5-10(2)15(11(3)6-9)20-8-14(18)16-13-7-12(4)19-17-13/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyFKLCWUMWDVMGFH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.64
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (PubChem CID 7799430) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
PubChem CID7799430
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
SMILESCc1cc(C)c(SCC(=O)Nc2cc(C)on2)c(C)c1
InChIInChI=1S/C15H18N2O2S/c1-9-5-10(2)15(11(3)6-9)20-8-14(18)16-13-7-12(4)19-17-13/h5-7H,8H2,1-4H3,(H,16,17,18)
InChIKeyFKLCWUMWDVMGFH-UHFFFAOYSA-N
XLogP3.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17425092
2-(2-amino-4-methylphenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43302530
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8987962
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 845171
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2621595
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 16813597
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466725
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(5-methyl-1,2-oxazol-3-yl)-2-[[5-(5-methyl-1,2-oxazol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 6456775
2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]acetic acid
CID 119171544
2-(2-amino-4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 43304169

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide (CID 7799430) is N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide is Cc1cc(C)c(SCC(=O)Nc2cc(C)on2)c(C)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
The InChIKey is FKLCWUMWDVMGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-5-10(2)15(11(3)6-9)20-8-14(18)16-13-7-12(4)19-17-13/h5-7H,8H2,1-4H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide has a molecular weight of 290.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7799430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).