N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

C17H16N2O2S — CID 16866683

IUPACN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2cc(CNC(=O)Cc3cccs3)no2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)16-9-14(19-21-16)11-18-17(20)10-15-3-2-8-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyYUXDGQGKYABRIV-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.57
Rot. Bonds5

About N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 16866683) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID16866683
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc(-c2cc(CNC(=O)Cc3cccs3)no2)cc1
InChIInChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)16-9-14(19-21-16)11-18-17(20)10-15-3-2-8-22-15/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeyYUXDGQGKYABRIV-UHFFFAOYSA-N
XLogP3.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-naphthalen-1-ylacetamide
CID 16866680
3,5-dimethyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866600
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
2-methyl-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866597
2,6-difluoro-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866628
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(4-chlorophenyl)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]acetamide
CID 16866804
N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylbenzamide
CID 16866853
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 110370222
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2-[5-(4-methylphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16878418

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide (CID 16866683) is N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is Cc1ccc(-c2cc(CNC(=O)Cc3cccs3)no2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is YUXDGQGKYABRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-4-6-13(7-5-12)16-9-14(19-21-16)11-18-17(20)10-15-3-2-8-22-15/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 312.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 16866683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).