4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C11H13N3O5S — CID 82881181

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-5-9(11(15)16)8(4-12-5)14-20(17,18)10-6(2)13-19-7(10)3/h4,12,14H,1-3H3,(H,15,16)
InChIKeyGXTXTFLRZWIPPQ-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.43
Rot. Bonds4

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82881181) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82881181
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1noc(C)c1S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O
InChIInChI=1S/C11H13N3O5S/c1-5-9(11(15)16)8(4-12-5)14-20(17,18)10-6(2)13-19-7(10)3/h4,12,14H,1-3H3,(H,15,16)
InChIKeyGXTXTFLRZWIPPQ-UHFFFAOYSA-N
XLogP1.43
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]benzoic acid
CID 63117138
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880941
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-methylbenzenecarbothioamide
CID 107799090
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877606
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-6-fluorobenzenecarbothioamide
CID 43581042
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-fluorobenzoic acid
CID 103847489
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 31754465
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82881181) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1noc(C)c1S(=O)(=O)Nc1c[nH]c(C)c1C(=O)O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is GXTXTFLRZWIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c1-5-9(11(15)16)8(4-12-5)14-20(17,18)10-6(2)13-19-7(10)3/h4,12,14H,1-3H3,(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82881181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).