4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

C12H15N3O5S — CID 106370266

IUPAC4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)o1
InChIInChI=1S/C12H15N3O5S/c1-3-8-5-13-11(20-8)6-14-21(18,19)9-4-10(12(16)17)15(2)7-9/h4-5,7,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyHNRVKROEUKZFAP-UHFFFAOYSA-N
MW313.34 g/mol
LogP0.75
Rot. Bonds6

About 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid

4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 106370266) has the molecular formula C12H15N3O5S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID106370266
Molecular FormulaC12H15N3O5S
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)o1
InChIInChI=1S/C12H15N3O5S/c1-3-8-5-13-11(20-8)6-14-21(18,19)9-4-10(12(16)17)15(2)7-9/h4-5,7,14H,3,6H2,1-2H3,(H,16,17)
InChIKeyHNRVKROEUKZFAP-UHFFFAOYSA-N
XLogP0.75
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937
5-bromo-4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106370269
6-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
CID 106368950
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(methylaminomethyl)benzenesulfonamide
CID 106373721
3-amino-4-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylbenzenesulfonamide
CID 106368919
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-4-methylbenzenesulfonamide
CID 106368971
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 93081616
4-(2-aminoethyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106373743
4-(1,3-dihydroxypropan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 65312614
4-(1-hydroxybutan-2-ylsulfamoyl)-1-methylpyrrole-2-carboxylic acid
CID 43498989
4-[3-(ethylamino)propylsulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 61403394
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid (CID 106370266) is 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is CCc1cnc(CNS(=O)(=O)c2cc(C(=O)O)n(C)c2)o1.
What is the InChIKey of 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is HNRVKROEUKZFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5S/c1-3-8-5-13-11(20-8)6-14-21(18,19)9-4-10(12(16)17)15(2)7-9/h4-5,7,14H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid?
4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 313.34 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,3-oxazol-2-yl)methylsulfamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 106370266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).