N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide

C12H13N3O5S — CID 10335611

IUPACN-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1
InChIInChI=1S/C12H13N3O5S/c1-8(17)13-9-2-4-11(5-3-9)21(18,19)15-12-6-10(7-16)20-14-12/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyYKWZTWOYFWCVKH-UHFFFAOYSA-N
MW311.32 g/mol
LogP0.93
Rot. Bonds5

About N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 10335611) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID10335611
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC NameN-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1
InChIInChI=1S/C12H13N3O5S/c1-8(17)13-9-2-4-11(5-3-9)21(18,19)15-12-6-10(7-16)20-14-12/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15)
InChIKeyYKWZTWOYFWCVKH-UHFFFAOYSA-N
XLogP0.93
TPSA121.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide (CID 10335611) is N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CO)on2)cc1.
What is the InChIKey of N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is YKWZTWOYFWCVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-8(17)13-9-2-4-11(5-3-9)21(18,19)15-12-6-10(7-16)20-14-12/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(hydroxymethyl)-1,2-oxazol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 10335611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).