2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

C16H20N2O2S — CID 15944374

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)o1
InChIInChI=1S/C16H20N2O2S/c1-5-13-8-6-7-10(2)15(13)18-14(19)9-21-16-17-11(3)12(4)20-16/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyKZNSZDWTSWRIMC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.89
Rot. Bonds5

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 15944374) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID15944374
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)o1
InChIInChI=1S/C16H20N2O2S/c1-5-13-8-6-7-10(2)15(13)18-14(19)9-21-16-17-11(3)12(4)20-16/h6-8H,5,9H2,1-4H3,(H,18,19)
InChIKeyKZNSZDWTSWRIMC-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide (CID 15944374) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is CCc1cccc(C)c1NC(=O)CSc1nc(C)c(C)o1.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is KZNSZDWTSWRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-5-13-8-6-7-10(2)15(13)18-14(19)9-21-16-17-11(3)12(4)20-16/h6-8H,5,9H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 15944374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).