methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate

C15H17N3O4S — CID 30898964

IUPACmethyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(SCc2nc(C)no2)cc1
InChIInChI=1S/C15H17N3O4S/c1-10-17-13(22-18-10)9-23-12-5-3-11(4-6-12)15(20)16-8-7-14(19)21-2/h3-6H,7-9H2,1-2H3,(H,16,20)
InChIKeyBFLMPECZXWVSNA-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.96
Rot. Bonds7

About methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate

methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate (PubChem CID 30898964) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
PubChem CID30898964
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Namemethyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(SCc2nc(C)no2)cc1
InChIInChI=1S/C15H17N3O4S/c1-10-17-13(22-18-10)9-23-12-5-3-11(4-6-12)15(20)16-8-7-14(19)21-2/h3-6H,7-9H2,1-2H3,(H,16,20)
InChIKeyBFLMPECZXWVSNA-UHFFFAOYSA-N
XLogP1.96
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]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

4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 30776681
N-[2-(methylamino)propyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 120830474
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2S)-2-phenylbutyl]benzamide
CID 30777843
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-[(2R)-2-phenylbutyl]benzamide
CID 30777841
2-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoic acid
CID 113371755
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106421849
N-methyl-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42942880
N-(2-aminoethyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886495
methyl 3-[(3-methyl-1,2,4-oxadiazol-5-yl)amino]propanoate
CID 106659578
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
3,5-dihydroxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 103892309

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate (CID 30898964) is methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(SCc2nc(C)no2)cc1.
What is the InChIKey of methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
The InChIKey is BFLMPECZXWVSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-10-17-13(22-18-10)9-23-12-5-3-11(4-6-12)15(20)16-8-7-14(19)21-2/h3-6H,7-9H2,1-2H3,(H,16,20).
What are the key properties of methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate?
methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate has a molecular weight of 335.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]propanoate is sourced from PubChem (CID 30898964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).