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

C16H15N3O3S — CID 17475511

IUPAC2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c1-19(2)15(20)13(11-7-4-3-5-8-11)23-16-18-17-14(22-16)12-9-6-10-21-12/h3-10,13H,1-2H3
InChIKeyKVTUQHWFBLGNTN-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.25
Rot. Bonds5

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

2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 17475511) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
PubChem CID17475511
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nnc(-c2ccco2)o1)c1ccccc1
InChIInChI=1S/C16H15N3O3S/c1-19(2)15(20)13(11-7-4-3-5-8-11)23-16-18-17-14(22-16)12-9-6-10-21-12/h3-10,13H,1-2H3
InChIKeyKVTUQHWFBLGNTN-UHFFFAOYSA-N
XLogP3.25
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-phenylpropanamide
CID 2479761
(2S)-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7715700
(2S)-N-(3-chloro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 41293002
(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 40846770
(2S)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096371
(2R)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41096372
N,N-diethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 51209317
2-[1-(2-chlorophenyl)ethylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 4795022
N-benzyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 7374058
2-(furan-2-yl)-5-[1-(3-nitrophenyl)ethylsulfanyl]-1,3,4-oxadiazole
CID 18091401
S-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]] N,N-diethylcarbamothioate
CID 5227526
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8663186

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide (CID 17475511) is 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(Sc1nnc(-c2ccco2)o1)c1ccccc1.
What is the InChIKey of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is KVTUQHWFBLGNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-19(2)15(20)13(11-7-4-3-5-8-11)23-16-18-17-14(22-16)12-9-6-10-21-12/h3-10,13H,1-2H3.
What are the key properties of 2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide?
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 329.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 17475511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).