5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide

C13H14N2O3S — CID 2822317

IUPAC5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-4-6-11(7-5-9)19(3,17)15-13(16)12-8-10(2)18-14-12/h4-8H,1-3H3
InChIKeyADRCMNZHVNNJMI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.59
Rot. Bonds2

About 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide

5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide (PubChem CID 2822317) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide
PubChem CID2822317
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(S(C)(=O)=NC(=O)c2cc(C)on2)cc1
InChIInChI=1S/C13H14N2O3S/c1-9-4-6-11(7-5-9)19(3,17)15-13(16)12-8-10(2)18-14-12/h4-8H,1-3H3
InChIKeyADRCMNZHVNNJMI-UHFFFAOYSA-N
XLogP2.59
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide (CID 2822317) is 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide is Cc1ccc(S(C)(=O)=NC(=O)c2cc(C)on2)cc1.
What is the InChIKey of 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide?
The InChIKey is ADRCMNZHVNNJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-9-4-6-11(7-5-9)19(3,17)15-13(16)12-8-10(2)18-14-12/h4-8H,1-3H3.
What are the key properties of 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide?
5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2822317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).