ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate

C21H18N4O5S — CID 25044869

IUPACethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C21H18N4O5S/c1-2-29-21(26)16-13-22-24-18(16)25-31(27,28)20-17(14-9-5-3-6-10-14)30-19(23-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,22,24,25)
InChIKeyAZQBHCAUEBFAAA-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.71
Rot. Bonds7

About ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate

ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate (PubChem CID 25044869) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
PubChem CID25044869
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Nameethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C21H18N4O5S/c1-2-29-21(26)16-13-22-24-18(16)25-31(27,28)20-17(14-9-5-3-6-10-14)30-19(23-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,22,24,25)
InChIKeyAZQBHCAUEBFAAA-UHFFFAOYSA-N
XLogP3.71
TPSA127.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
ethyl 5-[(8-chloronaphthalen-1-yl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 3774578
ethyl 5-(4-aminophenyl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 70167506
N-(2-methylpyrazol-3-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 25034963
N-[(4-methoxyphenyl)methyl]-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3702958
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754
ethyl 2-[2-(4-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 134997790
ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 3426999
N-(cyclopropylmethyl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 3844848
N-(3,3-dimethylbutan-2-yl)-2,5-diphenyl-1,3-oxazole-4-sulfonamide
CID 4254221
ethyl 5-(furan-2-yl)-2-phenyl-1,3-oxazole-4-carboxylate
CID 11108817
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate (CID 25044869) is ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NS(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate?
The InChIKey is AZQBHCAUEBFAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-2-29-21(26)16-13-22-24-18(16)25-31(27,28)20-17(14-9-5-3-6-10-14)30-19(23-20)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,22,24,25).
What are the key properties of ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate?
ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate has a molecular weight of 438.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2,5-diphenyl-1,3-oxazol-4-yl)sulfonylamino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 25044869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).