4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid

C25H22N2O6S — CID 22087435

IUPAC4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-5-3-2-4-6-18)15-16-32-21-11-9-20(10-12-21)27-34(30,31)22-13-7-19(8-14-22)25(28)29/h2-14,27H,15-16H2,1H3,(H,28,29)
InChIKeyBBFCSXHXANRTSZ-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.77
Rot. Bonds9

About 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid

4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid (PubChem CID 22087435) has the molecular formula C25H22N2O6S and a molecular weight of 478.53 g/mol. Its IUPAC name is 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid
PubChem CID22087435
Molecular FormulaC25H22N2O6S
Molecular Weight478.53 g/mol
Exact Mass478.12
IUPAC Name4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-5-3-2-4-6-18)15-16-32-21-11-9-20(10-12-21)27-34(30,31)22-13-7-19(8-14-22)25(28)29/h2-14,27H,15-16H2,1H3,(H,28,29)
InChIKeyBBFCSXHXANRTSZ-UHFFFAOYSA-N
XLogP4.77
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid with MolForge

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16588852
2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoic acid
CID 22712164
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
tert-butyl 6-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-6-oxohexanoate
CID 142189302
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 54227540
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-N-phenylbenzenesulfonamide
CID 141185656
N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]propan-2-amine
CID 20723597
3,4-difluoro-N-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]aniline
CID 141081062
dimethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanedioate
CID 6918417
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid (CID 22087435) is 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid?
The InChIKey is BBFCSXHXANRTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6S/c1-17-23(26-24(33-17)18-5-3-2-4-6-18)15-16-32-21-11-9-20(10-12-21)27-34(30,31)22-13-7-19(8-14-22)25(28)29/h2-14,27H,15-16H2,1H3,(H,28,29).
What are the key properties of 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid?
4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid has a molecular weight of 478.53 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 22087435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).