2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

C19H20N4O5S — CID 5309209

IUPAC2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1
InChIInChI=1S/C19H20N4O5S/c24-18(21-12-14-5-1-2-8-20-14)13-23-16-7-6-15(11-17(16)28-19(23)25)29(26,27)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,24)
InChIKeyLTGXEJIGGZQOOQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP1.09
Rot. Bonds6

About 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide

2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5309209) has the molecular formula C19H20N4O5S and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5309209
Molecular FormulaC19H20N4O5S
Molecular Weight416.46 g/mol
Exact Mass416.12
IUPAC Name2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1
InChIInChI=1S/C19H20N4O5S/c24-18(21-12-14-5-1-2-8-20-14)13-23-16-7-6-15(11-17(16)28-19(23)25)29(26,27)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,24)
InChIKeyLTGXEJIGGZQOOQ-UHFFFAOYSA-N
XLogP1.09
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 5309209) is 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccccn1.
What is the InChIKey of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LTGXEJIGGZQOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5S/c24-18(21-12-14-5-1-2-8-20-14)13-23-16-7-6-15(11-17(16)28-19(23)25)29(26,27)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12-13H2,(H,21,24).
What are the key properties of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 416.46 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5309209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).