3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide

C15H14N4O2S — CID 2744700

IUPAC3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1
InChIInChI=1S/C15H14N4O2S/c1-8-4-6-11(7-5-8)16-15(20)12-9(2)18-21-13(12)14-10(3)17-19-22-14/h4-7H,1-3H3,(H,16,20)
InChIKeyLLFDZSSKSFJLIV-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.37
Rot. Bonds3

About 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide

3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide (PubChem CID 2744700) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide
PubChem CID2744700
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC Name3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1
InChIInChI=1S/C15H14N4O2S/c1-8-4-6-11(7-5-8)16-15(20)12-9(2)18-21-13(12)14-10(3)17-19-22-14/h4-7H,1-3H3,(H,16,20)
InChIKeyLLFDZSSKSFJLIV-UHFFFAOYSA-N
XLogP3.37
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide (CID 2744700) is 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is LLFDZSSKSFJLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/c1-8-4-6-11(7-5-8)16-15(20)12-9(2)18-21-13(12)14-10(3)17-19-22-14/h4-7H,1-3H3,(H,16,20).
What are the key properties of 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide?
3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-5-(4-methylthiadiazol-5-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2744700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).