2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide

C15H13N3O5S — CID 110766627

IUPAC2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H13N3O5S/c16-24(21,22)11-4-1-9(2-5-11)8-17-14(19)10-3-6-13-12(7-10)18-15(20)23-13/h1-7H,8H2,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyMBBIISNQVBVBJX-UHFFFAOYSA-N
MW347.35 g/mol
LogP0.70
Rot. Bonds4

About 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide

2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide (PubChem CID 110766627) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
PubChem CID110766627
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Name2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)cc1
InChIInChI=1S/C15H13N3O5S/c16-24(21,22)11-4-1-9(2-5-11)8-17-14(19)10-3-6-13-12(7-10)18-15(20)23-13/h1-7H,8H2,(H,17,19)(H,18,20)(H2,16,21,22)
InChIKeyMBBIISNQVBVBJX-UHFFFAOYSA-N
XLogP0.70
TPSA135.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
3-methyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786718
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 110773952
2-methyl-N-[(4-sulfamoylphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 77087766
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 24983098
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]-2-phenylacetamide
CID 110786737
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
3-oxo-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]butanamide
CID 115176424
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide (CID 110766627) is 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccc3oc(=O)[nH]c3c2)cc1.
What is the InChIKey of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide?
The InChIKey is MBBIISNQVBVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c16-24(21,22)11-4-1-9(2-5-11)8-17-14(19)10-3-6-13-12(7-10)18-15(20)23-13/h1-7H,8H2,(H,17,19)(H,18,20)(H2,16,21,22).
What are the key properties of 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide?
2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(4-sulfamoylphenyl)methyl]-3H-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 110766627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).