4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

C14H15N3O4S — CID 122187164

IUPAC4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
InChIKeyIIFWJDALYTYTSV-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.23
Rot. Bonds3

About 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide

4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 122187164) has the molecular formula C14H15N3O4S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID122187164
Molecular FormulaC14H15N3O4S
Molecular Weight321.36 g/mol
Exact Mass321.08
IUPAC Name4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20)
InChIKeyIIFWJDALYTYTSV-UHFFFAOYSA-N
XLogP1.23
TPSA106.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-Methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 91595667
4-(2-Cyclopropyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187162
4-(2-Cyclobutyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 122187163
4-[2-(Morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187165
2-Methyl-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187172
2-Methyl-5-[2-(morpholine-4-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187173
2-Methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 122187174
N-piperidin-4-yl-5-(4-sulfamoylphenyl)-1,3-oxazole-2-carboxamide
CID 155527975
4-[2-(4-Aminopiperidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
CID 155551316
4-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110647
3-(2-(7-Phenylheptanoyl)oxazol-5-yl)benzenesulfonamide
CID 16110701
5-[2-(7-Phenylheptanoyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
CID 16110719

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 122187164) is 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is IIFWJDALYTYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4S/c15-22(19,20)11-5-3-10(4-6-11)12-9-16-13(21-12)14(18)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,19,20).
What are the key properties of 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122187164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).