N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C16H11N3O3S — CID 8882267

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11N3O3S/c20-14(18-15-17-10-5-1-4-8-13(10)23-15)9-19-11-6-2-3-7-12(11)22-16(19)21/h1-8H,9H2,(H,17,18,20)
InChIKeyHPPJZPQYWDOXAS-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.84
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 8882267) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID8882267
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11N3O3S/c20-14(18-15-17-10-5-1-4-8-13(10)23-15)9-19-11-6-2-3-7-12(11)22-16(19)21/h1-8H,9H2,(H,17,18,20)
InChIKeyHPPJZPQYWDOXAS-UHFFFAOYSA-N
XLogP2.84
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 8882267) is N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is HPPJZPQYWDOXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-14(18-15-17-10-5-1-4-8-13(10)23-15)9-19-11-6-2-3-7-12(11)22-16(19)21/h1-8H,9H2,(H,17,18,20).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 325.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 8882267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).