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

C10H16N2O2S — CID 60623814

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C10H16N2O2S/c1-4-11-10(13)6-15-5-9-7(2)12-14-8(9)3/h4-6H2,1-3H3,(H,11,13)
InChIKeyLERHMHBDUFDYPK-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.66
Rot. Bonds5

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

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide (PubChem CID 60623814) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
PubChem CID60623814
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
SMILESCCNC(=O)CSCc1c(C)noc1C
InChIInChI=1S/C10H16N2O2S/c1-4-11-10(13)6-15-5-9-7(2)12-14-8(9)3/h4-6H2,1-3H3,(H,11,13)
InChIKeyLERHMHBDUFDYPK-UHFFFAOYSA-N
XLogP1.66
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.66
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-ethylacetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide (CID 60623814) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide is CCNC(=O)CSCc1c(C)noc1C.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide?
The InChIKey is LERHMHBDUFDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-11-10(13)6-15-5-9-7(2)12-14-8(9)3/h4-6H2,1-3H3,(H,11,13).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide has a molecular weight of 228.32 g/mol, XLogP of 1.66, 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-ethylacetamide is sourced from PubChem (CID 60623814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).