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

C16H15N3O4S — CID 975318

IUPAC3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H15N3O4S/c1-21-12-6-3-2-5-11(12)17-14(20)8-10-24-16-19-18-15(23-16)13-7-4-9-22-13/h2-7,9H,8,10H2,1H3,(H,17,20)
InChIKeyDWWMYBXWKKGMIG-UHFFFAOYSA-N
MW345.38 g/mol
LogP3.46
Rot. Bonds7

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

3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide (PubChem CID 975318) has the molecular formula C16H15N3O4S and a molecular weight of 345.38 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
PubChem CID975318
Molecular FormulaC16H15N3O4S
Molecular Weight345.38 g/mol
Exact Mass345.08
IUPAC Name3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1
InChIInChI=1S/C16H15N3O4S/c1-21-12-6-3-2-5-11(12)17-14(20)8-10-24-16-19-18-15(23-16)13-7-4-9-22-13/h2-7,9H,8,10H2,1H3,(H,17,20)
InChIKeyDWWMYBXWKKGMIG-UHFFFAOYSA-N
XLogP3.46
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 851244
Methyl 3-[({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate
CID 1160631
N-(2-Ethoxy-phenyl)-2-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 565713
N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 691759
4-(5-Furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-1H-quinolin-2-one
CID 644640
N-(2,3-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 650110
N-(4-Chloro-phenyl)-3-(5-furan-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-propionamide
CID 655667
2-{[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
CID 692406
N-(2,5-dimethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 865354
N-(4-acetamidophenyl)-2-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
CID 1160633
N-(2,6-dimethylphenyl)-4-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanamide
CID 2085560
2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155765

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide (CID 975318) is 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1.
What is the InChIKey of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide?
The InChIKey is DWWMYBXWKKGMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S/c1-21-12-6-3-2-5-11(12)17-14(20)8-10-24-16-19-18-15(23-16)13-7-4-9-22-13/h2-7,9H,8,10H2,1H3,(H,17,20).
What are the key properties of 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide?
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide has a molecular weight of 345.38 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 975318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).