N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide

C10H10N2O4S — CID 10467478

IUPACN-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyHXFUTAFSEXINIW-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.79
Rot. Bonds3

About N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide

N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide (PubChem CID 10467478) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide
PubChem CID10467478
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC NameN-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)
InChIKeyHXFUTAFSEXINIW-UHFFFAOYSA-N
XLogP0.79
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5734
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3-Methyl-1,2-benzoxazole
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(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(5-phenyl-1,2-oxazol-3-yl)butanamide
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1,2-Benzoxazol-3-ylmethanesulfonimidic acid
CID 11967800
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CID 332592
1,2-Benzisoxazole-3-acetamide
CID 323639
3-(Sulfamoylmethyl)-1,2-benzisoxazole sodium salt
CID 23617171
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclopentanesulfonamide
CID 141414497
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)cyclohexanesulfonamide
CID 141414499
N-(3,6-dimethyl-1,2-benzoxazol-5-yl)ethanesulfonamide
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N-(3,6-dimethyl-1,2-benzoxazol-5-yl)propane-1-sulfonamide
CID 141414549

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide (CID 10467478) is N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide is CC(=O)NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide?
The InChIKey is HXFUTAFSEXINIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide?
N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide has a molecular weight of 254.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 10467478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).