3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide

C13H14N2O2S — CID 1247116

IUPAC3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C13H14N2O2S/c1-8-12(9(2)17-15-8)13(16)14-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyMZTXHSDLDYVFIW-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.27
Rot. Bonds3

About 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 1247116) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID1247116
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1c(C)noc1C
InChIInChI=1S/C13H14N2O2S/c1-8-12(9(2)17-15-8)13(16)14-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H,14,16)
InChIKeyMZTXHSDLDYVFIW-UHFFFAOYSA-N
XLogP3.27
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide (CID 1247116) is 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide is CSc1ccccc1NC(=O)c1c(C)noc1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is MZTXHSDLDYVFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-12(9(2)17-15-8)13(16)14-10-6-4-5-7-11(10)18-3/h4-7H,1-3H3,(H,14,16).
What are the key properties of 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylsulfanylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 1247116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).