5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide

C12H12N2O2S — CID 1247789

IUPAC5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(C)on1
InChIInChI=1S/C12H12N2O2S/c1-8-7-10(14-16-8)12(15)13-9-5-3-4-6-11(9)17-2/h3-7H,1-2H3,(H,13,15)
InChIKeyHSUMTEXRZRJVAY-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.96
Rot. Bonds3

About 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 1247789) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID1247789
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(C)on1
InChIInChI=1S/C12H12N2O2S/c1-8-7-10(14-16-8)12(15)13-9-5-3-4-6-11(9)17-2/h3-7H,1-2H3,(H,13,15)
InChIKeyHSUMTEXRZRJVAY-UHFFFAOYSA-N
XLogP2.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (CID 1247789) is 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is CSc1ccccc1NC(=O)c1cc(C)on1.
What is the InChIKey of 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HSUMTEXRZRJVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8-7-10(14-16-8)12(15)13-9-5-3-4-6-11(9)17-2/h3-7H,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 1247789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).