2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C12H10N4O3S — CID 2990590

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C12H10N4O3S/c1-7-11(16-19-15-7)14-10(17)6-20-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyOAHJSVILGDYQNU-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.25
Rot. Bonds4

About 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 2990590) has the molecular formula C12H10N4O3S and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID2990590
Molecular FormulaC12H10N4O3S
Molecular Weight290.30 g/mol
Exact Mass290.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C12H10N4O3S/c1-7-11(16-19-15-7)14-10(17)6-20-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17)
InChIKeyOAHJSVILGDYQNU-UHFFFAOYSA-N
XLogP2.25
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 2990590) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is OAHJSVILGDYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3S/c1-7-11(16-19-15-7)14-10(17)6-20-12-13-8-4-2-3-5-9(8)18-12/h2-5H,6H2,1H3,(H,14,16,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 290.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 2990590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).