2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide

C24H21N3O5S — CID 100504854

IUPAC2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C24H21N3O5S/c1-2-31-18-11-7-16(8-12-18)22-15-26-24(32-22)21-6-4-3-5-20(21)23(28)27-17-9-13-19(14-10-17)33(25,29)30/h3-15H,2H2,1H3,(H,27,28)(H2,25,29,30)
InChIKeyCQIPZZLZAZNOTA-UHFFFAOYSA-N
MW463.52 g/mol
LogP4.31
Rot. Bonds7

About 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide (PubChem CID 100504854) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
PubChem CID100504854
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
SMILESCCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1
InChIInChI=1S/C24H21N3O5S/c1-2-31-18-11-7-16(8-12-18)22-15-26-24(32-22)21-6-4-3-5-20(21)23(28)27-17-9-13-19(14-10-17)33(25,29)30/h3-15H,2H2,1H3,(H,27,28)(H2,25,29,30)
InChIKeyCQIPZZLZAZNOTA-UHFFFAOYSA-N
XLogP4.31
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-phenylbenzamide
CID 100504090
N-(4-bromophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504365
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 100504594
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(3-chlorophenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504316
N-(3-acetylphenyl)-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100504867
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide
CID 100507780
N-(4-ethylphenyl)-2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100502272
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 100503714
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-naphthalen-1-ylbenzamide
CID 100504250
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-prop-2-enylbenzamide
CID 100503847
ethyl 4-[[2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]benzoyl]amino]benzoate
CID 100509677

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide (CID 100504854) is 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1.
What is the InChIKey of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is CQIPZZLZAZNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-2-31-18-11-7-16(8-12-18)22-15-26-24(32-22)21-6-4-3-5-20(21)23(28)27-17-9-13-19(14-10-17)33(25,29)30/h3-15H,2H2,1H3,(H,27,28)(H2,25,29,30).
What are the key properties of 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide?
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 463.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 100504854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).