2-(1,2-benzoxazol-3-ylsulfanyl)acetamide

C9H8N2O2S — CID 54541445

IUPAC2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
SMILESNC(=O)CSc1noc2ccccc12
InChIInChI=1S/C9H8N2O2S/c10-8(12)5-14-9-6-3-1-2-4-7(6)13-11-9/h1-4H,5H2,(H2,10,12)
InChIKeyZDLZXOUJBFPMCF-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.41
Rot. Bonds3

About 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide

2-(1,2-benzoxazol-3-ylsulfanyl)acetamide (PubChem CID 54541445) has the molecular formula C9H8N2O2S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
PubChem CID54541445
Molecular FormulaC9H8N2O2S
Molecular Weight208.24 g/mol
Exact Mass208.03
IUPAC Name2-(1,2-benzoxazol-3-ylsulfanyl)acetamide
SMILESNC(=O)CSc1noc2ccccc12
InChIInChI=1S/C9H8N2O2S/c10-8(12)5-14-9-6-3-1-2-4-7(6)13-11-9/h1-4H,5H2,(H2,10,12)
InChIKeyZDLZXOUJBFPMCF-UHFFFAOYSA-N
XLogP1.41
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide (CID 54541445) is 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide is NC(=O)CSc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide?
The InChIKey is ZDLZXOUJBFPMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2S/c10-8(12)5-14-9-6-3-1-2-4-7(6)13-11-9/h1-4H,5H2,(H2,10,12).
What are the key properties of 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide?
2-(1,2-benzoxazol-3-ylsulfanyl)acetamide has a molecular weight of 208.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 54541445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).