N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C12H11N3O4S — CID 38465966

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H11N3O4S/c16-10(4-15-6-20-5-11(15)17)13-7-1-2-9-8(3-7)14-12(18)19-9/h1-3H,4-6H2,(H,13,16)(H,14,18)
InChIKeyLSRFICFNWFPSMF-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.59
Rot. Bonds3

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 38465966) has the molecular formula C12H11N3O4S and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID38465966
Molecular FormulaC12H11N3O4S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H11N3O4S/c16-10(4-15-6-20-5-11(15)17)13-7-1-2-9-8(3-7)14-12(18)19-9/h1-3H,4-6H2,(H,13,16)(H,14,18)
InChIKeyLSRFICFNWFPSMF-UHFFFAOYSA-N
XLogP0.59
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 38465966) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is LSRFICFNWFPSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4S/c16-10(4-15-6-20-5-11(15)17)13-7-1-2-9-8(3-7)14-12(18)19-9/h1-3H,4-6H2,(H,13,16)(H,14,18).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 293.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 38465966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).