2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C16H14FN3O3S — CID 42570744

IUPAC2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1
InChIInChI=1S/C16H14FN3O3S/c17-11-5-3-10(4-6-11)12(13-2-1-7-22-13)8-15-19-20-16(23-15)24-9-14(18)21/h1-7,12H,8-9H2,(H2,18,21)/t12-/m0/s1
InChIKeyYVGVEHLIRGUSPP-LBPRGKRZSA-N
MW347.37 g/mol
LogP2.75
Rot. Bonds7

About 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 42570744) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound Name2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID42570744
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESNC(=O)CSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1
InChIInChI=1S/C16H14FN3O3S/c17-11-5-3-10(4-6-11)12(13-2-1-7-22-13)8-15-19-20-16(23-15)24-9-14(18)21/h1-7,12H,8-9H2,(H2,18,21)/t12-/m0/s1
InChIKeyYVGVEHLIRGUSPP-LBPRGKRZSA-N
XLogP2.75
TPSA95.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

2-[[5-[(2R)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 42570745
2-ethylsulfanyl-5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole
CID 42580468
2-benzylsulfanyl-5-[(2R)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazole
CID 42582235
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
CID 102630125
2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7957782
2-[(2S)-2-(furan-2-yl)-2-phenylethyl]-1,3,4-oxadiazole
CID 42580721
N-(2,5-difluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766163
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 947485
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 47004091
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786762
N-(3-fluorophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766160

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 42570744) is 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is NC(=O)CSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1.
What is the InChIKey of 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is YVGVEHLIRGUSPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c17-11-5-3-10(4-6-11)12(13-2-1-7-22-13)8-15-19-20-16(23-15)24-9-14(18)21/h1-7,12H,8-9H2,(H2,18,21)/t12-/m0/s1.
What are the key properties of 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2S)-2-(4-fluorophenyl)-2-(furan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 42570744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).