N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide

C17H17N3O4S — CID 90603259

IUPACN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C17H17N3O4S/c1-10-8-14(11(2)23-10)16-19-20-17(24-16)18-15(21)9-25-13-6-4-12(22-3)5-7-13/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyBXZDOEWXNAFELV-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.69
Rot. Bonds6

About N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 90603259) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID90603259
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1
InChIInChI=1S/C17H17N3O4S/c1-10-8-14(11(2)23-10)16-19-20-17(24-16)18-15(21)9-25-13-6-4-12(22-3)5-7-13/h4-8H,9H2,1-3H3,(H,18,20,21)
InChIKeyBXZDOEWXNAFELV-UHFFFAOYSA-N
XLogP3.69
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16861391
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 90603240
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320710
2-(2,5-dimethylfuran-3-yl)-5-[(4-methoxyphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 8908221
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131
2-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 42208990
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
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90603114
S-[2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxoethyl] ethanethioate
CID 16949205
2-(4-chlorophenyl)sulfanyl-N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976507
N-(4-methoxyphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1300503

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 90603259) is N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1.
What is the InChIKey of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is BXZDOEWXNAFELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-10-8-14(11(2)23-10)16-19-20-17(24-16)18-15(21)9-25-13-6-4-12(22-3)5-7-13/h4-8H,9H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 359.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 90603259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).