N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C11H9N3O5S — CID 110719026

IUPACN-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3cocn3)cc2o1
InChIInChI=1S/C11H9N3O5S/c15-11-14-9-2-1-8(3-10(9)19-11)20(16,17)13-4-7-5-18-6-12-7/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeyRYXBQEHHOOAXPC-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.59
Rot. Bonds4

About N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110719026) has the molecular formula C11H9N3O5S and a molecular weight of 295.28 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110719026
Molecular FormulaC11H9N3O5S
Molecular Weight295.28 g/mol
Exact Mass295.03
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)NCc3cocn3)cc2o1
InChIInChI=1S/C11H9N3O5S/c15-11-14-9-2-1-8(3-10(9)19-11)20(16,17)13-4-7-5-18-6-12-7/h1-3,5-6,13H,4H2,(H,14,15)
InChIKeyRYXBQEHHOOAXPC-UHFFFAOYSA-N
XLogP0.59
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(6-methylpyridazin-3-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110738013
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
2-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110318496
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110319637
3-methyl-N-(1,3-oxazol-4-ylmethyl)benzenesulfonamide
CID 110719016
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122353268
2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110317990
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110427909
4-(1,3-oxazol-4-ylmethylsulfamoyl)benzoic acid
CID 110719035

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 110719026) is N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)NCc3cocn3)cc2o1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is RYXBQEHHOOAXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O5S/c15-11-14-9-2-1-8(3-10(9)19-11)20(16,17)13-4-7-5-18-6-12-7/h1-3,5-6,13H,4H2,(H,14,15).
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 295.28 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110719026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).