2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C20H23N3O2S — CID 8622156

IUPAC2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2cc(-c3cccs3)on2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-13-8-14(2)20(15(3)9-13)21-19(24)12-23(4)11-16-10-17(25-22-16)18-6-5-7-26-18/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyYQTQHMWVLLCDBF-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.40
Rot. Bonds6

About 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 8622156) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID8622156
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)Cc2cc(-c3cccs3)on2)c(C)c1
InChIInChI=1S/C20H23N3O2S/c1-13-8-14(2)20(15(3)9-13)21-19(24)12-23(4)11-16-10-17(25-22-16)18-6-5-7-26-18/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyYQTQHMWVLLCDBF-UHFFFAOYSA-N
XLogP4.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide with MolForge

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Related Compounds

N-cyclopropyl-2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8910173
2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38878190
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone
CID 119914930
2-[[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9233898
N-(2,3-dimethylphenyl)-2-[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 17418739
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9338173
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34136028
2-[[4-(5-ethylthiophen-2-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9233888
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9261630
1-[[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]methyl]cyclopentan-1-ol
CID 115758441
N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571
N-[4-(diethylamino)-2-methylphenyl]-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879558

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 8622156) is 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)Cc2cc(-c3cccs3)on2)c(C)c1.
What is the InChIKey of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is YQTQHMWVLLCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-13-8-14(2)20(15(3)9-13)21-19(24)12-23(4)11-16-10-17(25-22-16)18-6-5-7-26-18/h5-10H,11-12H2,1-4H3,(H,21,24).
What are the key properties of 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 8622156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).