N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide

C9H8N2O3S — CID 115166967

IUPACN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H8N2O3S/c12-8(4-15)10-5-1-2-6-7(3-5)14-9(13)11-6/h1-3,15H,4H2,(H,10,12)(H,11,13)
InChIKeyYAPVIYRFYXNMKY-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.99
Rot. Bonds2

About N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide

N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide (PubChem CID 115166967) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
PubChem CID115166967
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C9H8N2O3S/c12-8(4-15)10-5-1-2-6-7(3-5)14-9(13)11-6/h1-3,15H,4H2,(H,10,12)(H,11,13)
InChIKeyYAPVIYRFYXNMKY-UHFFFAOYSA-N
XLogP0.99
TPSA75.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
6-(sulfanylmethylamino)-3H-1,3-benzoxazol-2-one
CID 115227664
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
2-(4-fluorophenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662130
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(1H-pyrazol-5-yl)acetamide
CID 112522925
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
1-(3,4-dichlorophenyl)-3-(2-oxo-3H-1,3-benzoxazol-6-yl)urea
CID 155113953
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
CID 53304199

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide (CID 115166967) is N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide is O=C(CS)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide?
The InChIKey is YAPVIYRFYXNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-8(4-15)10-5-1-2-6-7(3-5)14-9(13)11-6/h1-3,15H,4H2,(H,10,12)(H,11,13).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide?
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide has a molecular weight of 224.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide is sourced from PubChem (CID 115166967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).