methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate

C20H19N3O5 — CID 110334979

IUPACmethyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C20H19N3O5/c1-26-16-8-4-5-13(12-16)19-23-22-18(28-19)10-9-17(24)21-15-7-3-6-14(11-15)20(25)27-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyZMBMXNVFQCSEKY-UHFFFAOYSA-N
MW381.39 g/mol
LogP3.10
Rot. Bonds7

About methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate

methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (PubChem CID 110334979) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
PubChem CID110334979
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Namemethyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C20H19N3O5/c1-26-16-8-4-5-13(12-16)19-23-22-18(28-19)10-9-17(24)21-15-7-3-6-14(11-15)20(25)27-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24)
InChIKeyZMBMXNVFQCSEKY-UHFFFAOYSA-N
XLogP3.10
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate 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 3-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzoate
CID 110330457
N-(4-acetamidophenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334977
N-(3-methoxyphenyl)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110335116
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933
N-(3-acetylphenyl)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110330455
N,N-dimethyl-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 43043450
N-benzyl-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334876
3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylbutyl)propanamide
CID 110334918
N-(3-bromophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 29199706
N-[3-(dimethylamino)propyl]-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334870
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-(3-chlorophenyl)-3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334370

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate (CID 110334979) is methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is COC(=O)c1cccc(NC(=O)CCc2nnc(-c3cccc(OC)c3)o2)c1.
What is the InChIKey of methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
The InChIKey is ZMBMXNVFQCSEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-26-16-8-4-5-13(12-16)19-23-22-18(28-19)10-9-17(24)21-15-7-3-6-14(11-15)20(25)27-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate?
methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate has a molecular weight of 381.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoylamino]benzoate is sourced from PubChem (CID 110334979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).