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

C16H13N3O4S — CID 570879

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NCC(=O)c1ccccc1
InChIInChI=1S/C16H13N3O4S/c20-12(11-5-2-1-3-6-11)9-17-14(21)10-24-16-19-18-15(23-16)13-7-4-8-22-13/h1-8H,9-10H2,(H,17,21)
InChIKeyHLOKZYRVBWPFPO-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.42
Rot. Bonds7

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide (PubChem CID 570879) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide
PubChem CID570879
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide
SMILESO=C(CSc1nnc(-c2ccco2)o1)NCC(=O)c1ccccc1
InChIInChI=1S/C16H13N3O4S/c20-12(11-5-2-1-3-6-11)9-17-14(21)10-24-16-19-18-15(23-16)13-7-4-8-22-13/h1-8H,9-10H2,(H,17,21)
InChIKeyHLOKZYRVBWPFPO-UHFFFAOYSA-N
XLogP2.42
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
benzyl (2S)-2-[[(2S)-1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-oxopentan-2-yl]carbamoyl]-4-methylpentanoate
CID 44412155
benzyl N-[(3S)-1-[[(2S)-1-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-1-oxohexan-2-yl]amino]-5-methyl-1,2-dioxohexan-3-yl]carbamate
CID 44452938
5-(2-Furyl)-1,3,4-oxadiazol-2-yl 3-(4-morpholinyl)-3-oxopropyl sulfide
CID 851240
2-(2-Furyl)-5-[(3-methylbenzyl)sulfanyl]-1,3,4-oxadiazole
CID 1475102
2-[[5-(2-Furanyl)-1,3,4-oxadiazol-2-yl]thio]-1-(2-methoxyphenyl)ethanone
CID 2424786
1-Acetyl-3-[(5-(2-furyl)(1,3,4-oxadiazol-2-ylthio))methyl]-2,4,6-trimethylbenz ene
CID 600149
4-Fluorobenzoic acid 4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
CID 44460132
N-(4-ethylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 691759
2-[(4-Fluorophenyl)methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 948806

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide (CID 570879) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide is O=C(CSc1nnc(-c2ccco2)o1)NCC(=O)c1ccccc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide?
The InChIKey is HLOKZYRVBWPFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-12(11-5-2-1-3-6-11)9-17-14(21)10-24-16-19-18-15(23-16)13-7-4-8-22-13/h1-8H,9-10H2,(H,17,21).
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide has a molecular weight of 343.36 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenacylacetamide is sourced from PubChem (CID 570879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).