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

C21H17N3O4S — CID 8663172

IUPAC(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17N3O4S/c1-14(29-21-24-23-20(28-21)18-8-5-13-26-18)19(25)22-15-9-11-17(12-10-15)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)/t14-/m0/s1
InChIKeyHOFHEQZUHCGASK-AWEZNQCLSA-N
MW407.45 g/mol
LogP5.24
Rot. Bonds7

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

(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide (PubChem CID 8663172) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
PubChem CID8663172
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
SMILESC[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H17N3O4S/c1-14(29-21-24-23-20(28-21)18-8-5-13-26-18)19(25)22-15-9-11-17(12-10-15)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)/t14-/m0/s1
InChIKeyHOFHEQZUHCGASK-AWEZNQCLSA-N
XLogP5.24
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808607
(2R)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide
CID 41079885
N-(3,5-dichlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3589077
N-(3-fluoro-4-methylphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 18091419
(2R)-N-(3-chlorophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808538
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 7953977
(2R)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 7953978
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18091432
(2R)-N-(3-cyanophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808581
(2S)-N-(4-fluoro-3-nitrophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8663258
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41074343
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(methylcarbamoyl)propanamide
CID 7374115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide?
The IUPAC name of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide (CID 8663172) is (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide is C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide?
The InChIKey is HOFHEQZUHCGASK-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-14(29-21-24-23-20(28-21)18-8-5-13-26-18)19(25)22-15-9-11-17(12-10-15)27-16-6-3-2-4-7-16/h2-14H,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide?
(2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide has a molecular weight of 407.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)propanamide is sourced from PubChem (CID 8663172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).