N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C13H12N4O3S — CID 2542352

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H12N4O3S/c1-2-11-15-16-12(21-11)14-10(18)7-17-8-5-3-4-6-9(8)20-13(17)19/h3-6H,2,7H2,1H3,(H,14,16,18)
InChIKeyJCBLLUPBYIOEBL-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.65
Rot. Bonds4

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 2542352) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID2542352
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
InChIInChI=1S/C13H12N4O3S/c1-2-11-15-16-12(21-11)14-10(18)7-17-8-5-3-4-6-9(8)20-13(17)19/h3-6H,2,7H2,1H3,(H,14,16,18)
InChIKeyJCBLLUPBYIOEBL-UHFFFAOYSA-N
XLogP1.65
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 2542352) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is JCBLLUPBYIOEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-2-11-15-16-12(21-11)14-10(18)7-17-8-5-3-4-6-9(8)20-13(17)19/h3-6H,2,7H2,1H3,(H,14,16,18).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 304.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 2542352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).