2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide

C16H20N2O2S — CID 2119845

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-14(7-11(10)2)17-16(19)9-21-8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyXDSMYBCCVAGNHG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.78
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 2119845) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
PubChem CID2119845
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-10-5-6-14(7-11(10)2)17-16(19)9-21-8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19)
InChIKeyXDSMYBCCVAGNHG-UHFFFAOYSA-N
XLogP3.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide (CID 2119845) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2c(C)noc2C)cc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is XDSMYBCCVAGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-10-5-6-14(7-11(10)2)17-16(19)9-21-8-15-12(3)18-20-13(15)4/h5-7H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 2119845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).