2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

C18H18N4O3S — CID 2155765

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O3S/c23-16(13-26-18-20-19-17(25-18)15-7-4-12-24-15)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyKGWLRGVGNQTVIG-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.77
Rot. Bonds5

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 2155765) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID2155765
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
SMILESO=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H18N4O3S/c23-16(13-26-18-20-19-17(25-18)15-7-4-12-24-15)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2
InChIKeyKGWLRGVGNQTVIG-UHFFFAOYSA-N
XLogP2.77
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-(2-Furyl)-1,3,4-oxadiazol-2-yl 3-(4-morpholinyl)-3-oxopropyl sulfide
CID 851240
N-(2-chlorophenyl)-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 851244
3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 975318
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
2-{5-[(4-Fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 653683
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-[(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}-1,3,4-oxadiazol-2-yl)methyl]-2-furamide
CID 3243591

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone (CID 2155765) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone is O=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is KGWLRGVGNQTVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-16(13-26-18-20-19-17(25-18)15-7-4-12-24-15)22-10-8-21(9-11-22)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2.
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 370.43 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 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]-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2155765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).