3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide

C23H17N3O6S — CID 101339333

IUPAC3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)no2)cc1
InChIInChI=1S/C23H17N3O6S/c24-33(28,29)22-4-2-1-3-17(22)14-5-8-16(9-6-14)25-23(27)21-12-18(26-32-21)15-7-10-19-20(11-15)31-13-30-19/h1-12H,13H2,(H,25,27)(H2,24,28,29)
InChIKeyQZDZURKTBSLSFQ-UHFFFAOYSA-N
MW463.47 g/mol
LogP3.64
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 101339333) has the molecular formula C23H17N3O6S and a molecular weight of 463.47 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID101339333
Molecular FormulaC23H17N3O6S
Molecular Weight463.47 g/mol
Exact Mass463.08
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)no2)cc1
InChIInChI=1S/C23H17N3O6S/c24-33(28,29)22-4-2-1-3-17(22)14-5-8-16(9-6-14)25-23(27)21-12-18(26-32-21)15-7-10-19-20(11-15)31-13-30-19/h1-12H,13H2,(H,25,27)(H2,24,28,29)
InChIKeyQZDZURKTBSLSFQ-UHFFFAOYSA-N
XLogP3.64
TPSA133.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1,2-oxazole-5-carboxamide
CID 3146119
N-[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]furan-2-carboxamide
CID 9319045
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55683934
3-phenyl-N-[3-(sulfamoylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 60610490
N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 46471021
4-(3-amino-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide
CID 10183163
N-(1,3-benzodioxol-5-yl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828830
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 22548193
(Z)-N-(4-bromophenyl)-4-oxo-5-[4-(2-sulfamoylphenyl)phenyl]pent-2-enamide
CID 59585475
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide (CID 101339333) is 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)no2)cc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is QZDZURKTBSLSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O6S/c24-33(28,29)22-4-2-1-3-17(22)14-5-8-16(9-6-14)25-23(27)21-12-18(26-32-21)15-7-10-19-20(11-15)31-13-30-19/h1-12H,13H2,(H,25,27)(H2,24,28,29).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 463.47 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 101339333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).