2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone

C16H14N2O4S — CID 676149

IUPAC2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-3-8-14(21-10)13(19)9-23-16-18-17-15(22-16)11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3
InChIKeyAQLVMHQIPWBCAV-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.62
Rot. Bonds6

About 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone

2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone (PubChem CID 676149) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
PubChem CID676149
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
SMILESCOc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1
InChIInChI=1S/C16H14N2O4S/c1-10-3-8-14(21-10)13(19)9-23-16-18-17-15(22-16)11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3
InChIKeyAQLVMHQIPWBCAV-UHFFFAOYSA-N
XLogP3.62
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone with MolForge

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluorobenzyl)thio]-1,3,4-oxadiazole
CID 44590237
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590238
Oxadiazole derivative, 20g
CID 44590242
Oxadiazole derivative, 20i
CID 44590275
Oxadiazole derivative, 20h
CID 44590376
5-[[[5-(2,3-Dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-methoxybenzonitrile
CID 44590378
Oxadiazole derivative, 20m
CID 44590379
2-(1-Benzofuran-5-yl)-5-[[4-methoxy-3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazole
CID 44590416
2-(2,3-Dihydro-1-benzofuran-5-yl)-5-[(3-fluoro-4-methoxybenzyl)thio]-1,3,4-oxadiazole
CID 44590954
Oxadiazole derivative, 20a
CID 44590955
2-{[5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethan-1-one
CID 859852

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone (CID 676149) is 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone is COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone?
The InChIKey is AQLVMHQIPWBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-3-8-14(21-10)13(19)9-23-16-18-17-15(22-16)11-4-6-12(20-2)7-5-11/h3-8H,9H2,1-2H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone?
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone has a molecular weight of 330.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone is sourced from PubChem (CID 676149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).