N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

C16H16N4O2S — CID 3236861

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H16N4O2S/c1-11-4-3-5-13(8-11)20-7-6-17-16(20)23-10-15(21)18-14-9-12(2)22-19-14/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyQSPKZCYDQCTQSS-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.21
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 3236861) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID3236861
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H16N4O2S/c1-11-4-3-5-13(8-11)20-7-6-17-16(20)23-10-15(21)18-14-9-12(2)22-19-14/h3-9H,10H2,1-2H3,(H,18,19,21)
InChIKeyQSPKZCYDQCTQSS-UHFFFAOYSA-N
XLogP3.21
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2543627
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4189273
2-(4-Butyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 653597
2-[[5-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 651389
2-{1-[2-(3,5-Dimethyl-piperidin-1-yl)-2-oxo-ethyl]-1H-benzoimidazol-2-ylsulfanyl}-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 655856
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855630
2-((1-(4-chlorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 3241665
2-((5-((1-methyl-1H-pyrrol-2-yl)methyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 3244581
2-(5-Benzyl-4-butyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3181032
N-(5-methylisoxazol-3-yl)-2-((1-(4-nitrophenyl)-1H-imidazol-2-yl)thio)acetamide
CID 4142176
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide
CID 4799477
3-(4-Fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylimidazole-4-carboxylic acid
CID 4858343

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 3236861) is N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is QSPKZCYDQCTQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-4-3-5-13(8-11)20-7-6-17-16(20)23-10-15(21)18-14-9-12(2)22-19-14/h3-9H,10H2,1-2H3,(H,18,19,21).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 328.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 3236861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).