N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide

C6H8N2O2S — CID 131017916

IUPACN-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESCNC(=O)CSc1ncco1
InChIInChI=1S/C6H8N2O2S/c1-7-5(9)4-11-6-8-2-3-10-6/h2-3H,4H2,1H3,(H,7,9)
InChIKeyCRWXZNJNXDJSKU-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.51
Rot. Bonds3

About N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide

N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide (PubChem CID 131017916) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide
PubChem CID131017916
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC NameN-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide
SMILESCNC(=O)CSc1ncco1
InChIInChI=1S/C6H8N2O2S/c1-7-5(9)4-11-6-8-2-3-10-6/h2-3H,4H2,1H3,(H,7,9)
InChIKeyCRWXZNJNXDJSKU-UHFFFAOYSA-N
XLogP0.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide (CID 131017916) is N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide is CNC(=O)CSc1ncco1.
What is the InChIKey of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
The InChIKey is CRWXZNJNXDJSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-7-5(9)4-11-6-8-2-3-10-6/h2-3H,4H2,1H3,(H,7,9).
What are the key properties of N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide?
N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide has a molecular weight of 172.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1,3-oxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 131017916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).