2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

C17H22N2O2S — CID 4783682

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-10-6-11(2)17(12(3)7-10)18-16(20)9-22-8-15-13(4)19-21-14(15)5/h6-7H,8-9H2,1-5H3,(H,18,20)
InChIKeyPASFFGOFOKRYJQ-UHFFFAOYSA-N
MW318.44 g/mol
LogP4.09
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 4783682) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID4783682
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C17H22N2O2S/c1-10-6-11(2)17(12(3)7-10)18-16(20)9-22-8-15-13(4)19-21-14(15)5/h6-7H,8-9H2,1-5H3,(H,18,20)
InChIKeyPASFFGOFOKRYJQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Isoxazolecarboxamide, 5-methyl-N-(2,4,6-trimethylphenyl)-
CID 3076176
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2119845
2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)acetamide
CID 24980939
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 25163211
N-(4-{[(3,5-dimethyl-4-isoxazolyl)methyl]sulfanyl}phenyl)acetamide
CID 1471877
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 4783683
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7740565
N-(4-bromo-2-methylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 8083649
3,5-dimethyl-N-(4-methylphenyl)-4-isoxazolecarboxamide
CID 770336
1-[(2S,6R)-2,6-dimethyl-4-(2-methylphenyl)piperazin-1-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone
CID 117976829
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 4795218
N-(2,6-difluorophenyl)-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-ethylamino]acetamide
CID 24979760

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide (CID 4783682) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSCc2c(C)noc2C)c(C)c1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is PASFFGOFOKRYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-10-6-11(2)17(12(3)7-10)18-16(20)9-22-8-15-13(4)19-21-14(15)5/h6-7H,8-9H2,1-5H3,(H,18,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 4.09, 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-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 4783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).