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

C13H11N5O4S — CID 712224

IUPACN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C13H11N5O4S/c1-7(19)14-11-12(18-22-17-11)16-10(20)6-23-13-15-8-4-2-3-5-9(8)21-13/h2-5H,6H2,1H3,(H,14,17,19)(H,16,18,20)
InChIKeyGKWRLSCSDDSZCN-UHFFFAOYSA-N
MW333.33 g/mol
LogP1.90
Rot. Bonds5

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

N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 712224) has the molecular formula C13H11N5O4S and a molecular weight of 333.33 g/mol. Its IUPAC name is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID712224
Molecular FormulaC13H11N5O4S
Molecular Weight333.33 g/mol
Exact Mass333.05
IUPAC NameN-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESCC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1
InChIInChI=1S/C13H11N5O4S/c1-7(19)14-11-12(18-22-17-11)16-10(20)6-23-13-15-8-4-2-3-5-9(8)21-13/h2-5H,6H2,1H3,(H,14,17,19)(H,16,18,20)
InChIKeyGKWRLSCSDDSZCN-UHFFFAOYSA-N
XLogP1.90
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 662941
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
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2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2055026
N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-2-(1,3-benzoxazol-2-ylthio)acetamide
CID 2223441
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CID 2891360
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 788010
2-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1,3-benzoxazole
CID 706189
Methyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzoxazol-2-ylsulfanylmethyl)triazole-4-carboxylate
CID 2061000
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2361559
2-[[5-(diethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 24981798
Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
CID 364608
2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 974455

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 712224) is N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is CC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1.
What is the InChIKey of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is GKWRLSCSDDSZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O4S/c1-7(19)14-11-12(18-22-17-11)16-10(20)6-23-13-15-8-4-2-3-5-9(8)21-13/h2-5H,6H2,1H3,(H,14,17,19)(H,16,18,20).
What are the key properties of N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 333.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-1,2,5-oxadiazol-3-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 712224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).