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

C13H11N3O3S — CID 695372

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3o2)no1
InChIInChI=1S/C13H11N3O3S/c1-8-6-11(16-19-8)15-12(17)7-20-13-14-9-4-2-3-5-10(9)18-13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyHRGOUXOEKMPRLJ-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.86
Rot. Bonds4

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

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 695372) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID695372
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc3ccccc3o2)no1
InChIInChI=1S/C13H11N3O3S/c1-8-6-11(16-19-8)15-12(17)7-20-13-14-9-4-2-3-5-10(9)18-13/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyHRGOUXOEKMPRLJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 695372) is 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc3ccccc3o2)no1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HRGOUXOEKMPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-8-6-11(16-19-8)15-12(17)7-20-13-14-9-4-2-3-5-10(9)18-13/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 289.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 695372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).