ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

C15H17N3O4S — CID 7502187

IUPACethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccccc2)o1
InChIInChI=1S/C15H17N3O4S/c1-3-21-14(20)10(2)23-15-18-17-12(22-15)9-16-13(19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyUWXQKSWBYCATEX-JTQLQIEISA-N
MW335.38 g/mol
LogP2.04
Rot. Bonds7

About ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate

ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (PubChem CID 7502187) has the molecular formula C15H17N3O4S and a molecular weight of 335.38 g/mol. Its IUPAC name is ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
PubChem CID7502187
Molecular FormulaC15H17N3O4S
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Nameethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
SMILESCCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccccc2)o1
InChIInChI=1S/C15H17N3O4S/c1-3-21-14(20)10(2)23-15-18-17-12(22-15)9-16-13(19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,19)/t10-/m0/s1
InChIKeyUWXQKSWBYCATEX-JTQLQIEISA-N
XLogP2.04
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate 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

methyl 2-[[5-[[(4-fluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 44921321
methyl (2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502252
(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 7502261
(2S)-2-[[5-[[(4-tert-butylbenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 7502260
N-[[5-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502166
N-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7502104
ethyl 2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate
CID 60600465
(2S)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 7502491
ethyl (2R)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoate
CID 7502478
ethyl (2R)-2-[[5-[[(2,6-difluorobenzoyl)amino]methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-3-oxobutanoate
CID 7502485
N-[[5-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 7205193
(2-chlorophenyl) 2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 20896275

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The IUPAC name of ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate (CID 7502187) is ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The canonical SMILES for ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is CCOC(=O)[C@H](C)Sc1nnc(CNC(=O)c2ccccc2)o1.
What is the InChIKey of ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
The InChIKey is UWXQKSWBYCATEX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-3-21-14(20)10(2)23-15-18-17-12(22-15)9-16-13(19)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,16,19)/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate?
ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate has a molecular weight of 335.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[5-(benzamidomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoate is sourced from PubChem (CID 7502187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).