2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide

C13H15N3O6S — CID 110722686

IUPAC2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C1COCCN1CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H15N3O6S/c17-12-8-21-6-5-16(12)4-3-14-23(19,20)9-1-2-10-11(7-9)22-13(18)15-10/h1-2,7,14H,3-6,8H2,(H,15,18)
InChIKeyDROTYPIKKUQLAT-UHFFFAOYSA-N
MW341.35 g/mol
LogP-0.74
Rot. Bonds5

About 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110722686) has the molecular formula C13H15N3O6S and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110722686
Molecular FormulaC13H15N3O6S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=C1COCCN1CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C13H15N3O6S/c17-12-8-21-6-5-16(12)4-3-14-23(19,20)9-1-2-10-11(7-9)22-13(18)15-10/h1-2,7,14H,3-6,8H2,(H,15,18)
InChIKeyDROTYPIKKUQLAT-UHFFFAOYSA-N
XLogP-0.74
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-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

4-tert-butyl-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722694
2-oxo-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110400838
3-chloro-4-methoxy-N-[2-(3-oxomorpholin-4-yl)ethyl]benzenesulfonamide
CID 110722675
2-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110789459
N-[2-(2-aminoethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345205
6-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]hexanoic acid
CID 7573837
2-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110405075
N-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 46341317
N-(2-aminopropyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82345198
N-[3-(3-chlorophenyl)propyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110661206
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 4889482
N-(1,3-oxazol-4-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110719026

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide (CID 110722686) is 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is O=C1COCCN1CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is DROTYPIKKUQLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O6S/c17-12-8-21-6-5-16(12)4-3-14-23(19,20)9-1-2-10-11(7-9)22-13(18)15-10/h1-2,7,14H,3-6,8H2,(H,15,18).
What are the key properties of 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 341.35 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(3-oxomorpholin-4-yl)ethyl]-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110722686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).