2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide

C16H14N2O2S — CID 53143315

IUPAC2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-c2ccsc2)no1
InChIInChI=1S/C16H14N2O2S/c1-11-4-2-3-5-12(11)8-15(19)17-16-9-14(18-20-16)13-6-7-21-10-13/h2-7,9-10H,8H2,1H3,(H,17,19)
InChIKeyKQHUIIQODVVJLU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide

2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 53143315) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
PubChem CID53143315
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide
SMILESCc1ccccc1CC(=O)Nc1cc(-c2ccsc2)no1
InChIInChI=1S/C16H14N2O2S/c1-11-4-2-3-5-12(11)8-15(19)17-16-9-14(18-20-16)13-6-7-21-10-13/h2-7,9-10H,8H2,1H3,(H,17,19)
InChIKeyKQHUIIQODVVJLU-UHFFFAOYSA-N
XLogP3.89
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide (CID 53143315) is 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide is Cc1ccccc1CC(=O)Nc1cc(-c2ccsc2)no1.
What is the InChIKey of 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is KQHUIIQODVVJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-11-4-2-3-5-12(11)8-15(19)17-16-9-14(18-20-16)13-6-7-21-10-13/h2-7,9-10H,8H2,1H3,(H,17,19).
What are the key properties of 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide?
2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 53143315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).