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

C15H17N3O5S — CID 122187174

IUPAC2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O5S/c1-22-11-5-4-10(8-13(11)24(16,20)21)12-9-17-14(23-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
InChIKeyALGVXPQDJLDXSM-UHFFFAOYSA-N
MW351.38 g/mol
LogP1.23
Rot. Bonds4

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

2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 122187174) has the molecular formula C15H17N3O5S and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID122187174
Molecular FormulaC15H17N3O5S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC Name2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O
InChIInChI=1S/C15H17N3O5S/c1-22-11-5-4-10(8-13(11)24(16,20)21)12-9-17-14(23-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21)
InChIKeyALGVXPQDJLDXSM-UHFFFAOYSA-N
XLogP1.23
TPSA115.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide (CID 122187174) is 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is ALGVXPQDJLDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S/c1-22-11-5-4-10(8-13(11)24(16,20)21)12-9-17-14(23-12)15(19)18-6-2-3-7-18/h4-5,8-9H,2-3,6-7H2,1H3,(H2,16,20,21).
What are the key properties of 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide?
2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[2-(pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 122187174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).