2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide

C14H12N4O4S — CID 16861391

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2nnc(-c3ccno3)o2)cc1
InChIInChI=1S/C14H12N4O4S/c1-20-9-2-4-10(5-3-9)23-8-12(19)16-14-18-17-13(21-14)11-6-7-15-22-11/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyAALXKSNKXUWBFA-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16861391) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16861391
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2nnc(-c3ccno3)o2)cc1
InChIInChI=1S/C14H12N4O4S/c1-20-9-2-4-10(5-3-9)23-8-12(19)16-14-18-17-13(21-14)11-6-7-15-22-11/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyAALXKSNKXUWBFA-UHFFFAOYSA-N
XLogP2.46
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861350
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 90603259
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320710
2-(4-chlorophenyl)sulfanyl-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7254642
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086523
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
2-(1,3-dioxoisoindol-2-yl)-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861308
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254564
2-(4-methoxyphenyl)sulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974941
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)sulfanylacetamide
CID 43971912
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
2-phenylsulfanyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 16823760

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide (CID 16861391) is 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide is COc1ccc(SCC(=O)Nc2nnc(-c3ccno3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is AALXKSNKXUWBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-20-9-2-4-10(5-3-9)23-8-12(19)16-14-18-17-13(21-14)11-6-7-15-22-11/h2-7H,8H2,1H3,(H,16,18,19).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 332.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16861391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).