methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate

C15H13N3O5S — CID 20914909

IUPACmethyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)c[nH]1
InChIInChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-10(3-5-11)14-6-7-17-23-14/h2-9,16,18H,1H3
InChIKeyLQTHEXRQCODCPT-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.26
Rot. Bonds5

About methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20914909) has the molecular formula C15H13N3O5S and a molecular weight of 347.35 g/mol. Its IUPAC name is methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20914909
Molecular FormulaC15H13N3O5S
Molecular Weight347.35 g/mol
Exact Mass347.06
IUPAC Namemethyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)c[nH]1
InChIInChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-10(3-5-11)14-6-7-17-23-14/h2-9,16,18H,1H3
InChIKeyLQTHEXRQCODCPT-UHFFFAOYSA-N
XLogP2.26
TPSA114.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-1H-pyrrole-2-carboxylate
CID 22552007
methyl 4-{[(3-isoxazol-5-ylphenyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20914910
Ethyl 1,2,5-trimethyl-4-{[3-(1,2-oxazol-5-YL)phenyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927352
Methyl 5-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]pyridine-2-carboxylate
CID 132312966
methyl 4-[1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
CID 143434209
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-pyrrolidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 18092472
methyl 4-[(4-ethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22551913
methyl 4-[(3-acetylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552018
Methyl 4-[methyl(4-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 22552092
Methyl 4-{[4-(methoxycarbonyl)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 22552111
N-[3-(1,2-oxazol-5-yl)phenyl]-4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 46276118
methyl 4-[1-[3-(4-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1H-pyrrole-2-carboxylate
CID 89366272

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20914909) is methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccno3)cc2)c[nH]1.
What is the InChIKey of methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is LQTHEXRQCODCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5S/c1-22-15(19)13-8-12(9-16-13)24(20,21)18-11-4-2-10(3-5-11)14-6-7-17-23-14/h2-9,16,18H,1H3.
What are the key properties of methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20914909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).