5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide

C20H20N2O2S — CID 155943086

IUPAC5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1
InChIInChI=1S/C20H20N2O2S/c1-4-25-19-8-6-5-7-16(19)21-20(23)17-12-18(24-22-17)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyZIMCUENRBXJWJC-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.32
Rot. Bonds5

About 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide

5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 155943086) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID155943086
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCCSc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1
InChIInChI=1S/C20H20N2O2S/c1-4-25-19-8-6-5-7-16(19)21-20(23)17-12-18(24-22-17)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,21,23)
InChIKeyZIMCUENRBXJWJC-UHFFFAOYSA-N
XLogP5.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dimethylphenyl)-N-(2-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011665
5-(4-methylphenyl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
CID 1252354
5-(3,4-dimethylphenyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011671
5-[4-[(2-methylphenyl)methoxy]phenyl]-N-[2-[(2-methylphenyl)methylsulfanyl]phenyl]-1,2-oxazole-3-carboxamide
CID 171703762
N,5-bis(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 17011912
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 171703886
N-[2-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 171703768
N-(2-ethylsulfanylphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131942915
N-(2,3-dimethylphenyl)-5-(4-fluoro-3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46265526
5-(3,4-dimethylphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17011674
N-[2-[(4-fluorophenyl)methylsulfanyl]phenyl]-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-3-carboxamide
CID 171703739
N-(2-ethylphenyl)-5-(3-hydroxyphenyl)-1,2-oxazole-3-carboxamide
CID 5308609

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide (CID 155943086) is 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide is CCSc1ccccc1NC(=O)c1cc(-c2ccc(C)c(C)c2)on1.
What is the InChIKey of 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZIMCUENRBXJWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-25-19-8-6-5-7-16(19)21-20(23)17-12-18(24-22-17)15-10-9-13(2)14(3)11-15/h5-12H,4H2,1-3H3,(H,21,23).
What are the key properties of 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-N-(2-ethylsulfanylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 155943086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).