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

C18H18N4O5S — CID 6623524

IUPAC2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccnc1
InChIInChI=1S/C18H18N4O5S/c23-17(20-13-4-3-7-19-11-13)12-22-15-6-5-14(10-16(15)27-18(22)24)28(25,26)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23)
InChIKeyPYSKOYVYXHDOEJ-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.41
Rot. Bonds5

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

2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 6623524) has the molecular formula C18H18N4O5S and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
PubChem CID6623524
Molecular FormulaC18H18N4O5S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC Name2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccnc1
InChIInChI=1S/C18H18N4O5S/c23-17(20-13-4-3-7-19-11-13)12-22-15-6-5-14(10-16(15)27-18(22)24)28(25,26)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23)
InChIKeyPYSKOYVYXHDOEJ-UHFFFAOYSA-N
XLogP1.41
TPSA114.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide (CID 6623524) is 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide is O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccnc1.
What is the InChIKey of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is PYSKOYVYXHDOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S/c23-17(20-13-4-3-7-19-11-13)12-22-15-6-5-14(10-16(15)27-18(22)24)28(25,26)21-8-1-2-9-21/h3-7,10-11H,1-2,8-9,12H2,(H,20,23).
What are the key properties of 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide?
2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 402.43 g/mol, XLogP of 1.41, 5 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-3-ylacetamide is sourced from PubChem (CID 6623524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).