2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C12H8ClN3O3S — CID 4243456

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1nccs1
InChIInChI=1S/C12H8ClN3O3S/c13-7-1-2-8-9(5-7)19-12(18)16(8)6-10(17)15-11-14-3-4-20-11/h1-5H,6H2,(H,14,15,17)
InChIKeyRBRIAEWKQMCMNY-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.34
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 4243456) has the molecular formula C12H8ClN3O3S and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID4243456
Molecular FormulaC12H8ClN3O3S
Molecular Weight309.73 g/mol
Exact Mass309.00
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1nccs1
InChIInChI=1S/C12H8ClN3O3S/c13-7-1-2-8-9(5-7)19-12(18)16(8)6-10(17)15-11-14-3-4-20-11/h1-5H,6H2,(H,14,15,17)
InChIKeyRBRIAEWKQMCMNY-UHFFFAOYSA-N
XLogP2.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 4243456) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1nccs1.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RBRIAEWKQMCMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O3S/c13-7-1-2-8-9(5-7)19-12(18)16(8)6-10(17)15-11-14-3-4-20-11/h1-5H,6H2,(H,14,15,17).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 309.73 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4243456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).