(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate

C20H21N3O5S — CID 55462775

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O5S/c1-22-13-17(29(25,26)23-9-5-6-10-23)12-18(22)20(24)27-14-16-11-19(28-21-16)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3
InChIKeyOSUSQLZHHNQCKR-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.82
Rot. Bonds6

About (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate

(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate (PubChem CID 55462775) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
PubChem CID55462775
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
SMILESCn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C20H21N3O5S/c1-22-13-17(29(25,26)23-9-5-6-10-23)12-18(22)20(24)27-14-16-11-19(28-21-16)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3
InChIKeyOSUSQLZHHNQCKR-UHFFFAOYSA-N
XLogP2.82
TPSA94.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 4-{[(3-isoxazol-5-ylphenyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20914910
Methyl 5-[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]isoxazole-3-carboxylate
CID 15958520
Ethyl 1,2,5-trimethyl-4-{[3-(1,2-oxazol-5-YL)phenyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927352
Ethyl 3-fluoro-4-[[1-hydroxy-2-methyl-3-(5-methyl-1,2-oxazol-3-yl)propan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 140762637
[5-(4-Fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 1-methylpyrrole-2-carboxylate
CID 8879708
[5-(4-Fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-acetyl-1-methylpyrrole-2-carboxylate
CID 9525881
1-(4-Fluorophenyl)ethyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 18102847
[2-(4-Fluorophenyl)-2-oxoethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 26988171
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 38524851
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 38524854
[1-(4-Fluorophenyl)-1-oxopropan-2-yl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 42923600
Methyl 4-{[4-(1,2-oxazol-5-YL)phenyl]sulfamoyl}-1H-pyrrole-2-carboxylate
CID 20914909

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate (CID 55462775) is (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate is Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
The InChIKey is OSUSQLZHHNQCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-22-13-17(29(25,26)23-9-5-6-10-23)12-18(22)20(24)27-14-16-11-19(28-21-16)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate?
(5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate has a molecular weight of 415.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 55462775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).