methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate

C19H19N3O5S — CID 55915985

IUPACmethyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1
InChIInChI=1S/C19H19N3O5S/c1-12-9-14(26-10-18(24)25-2)3-4-15(12)20-16(23)5-6-17-21-22-19(27-17)13-7-8-28-11-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,23)
InChIKeyIMWMFKNUZVSULU-UHFFFAOYSA-N
MW401.44 g/mol
LogP3.23
Rot. Bonds8

About methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate

methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate (PubChem CID 55915985) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
PubChem CID55915985
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Namemethyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate
SMILESCOC(=O)COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1
InChIInChI=1S/C19H19N3O5S/c1-12-9-14(26-10-18(24)25-2)3-4-15(12)20-16(23)5-6-17-21-22-19(27-17)13-7-8-28-11-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,23)
InChIKeyIMWMFKNUZVSULU-UHFFFAOYSA-N
XLogP3.23
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate with MolForge

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Related Compounds

N-(4-methoxy-2-pyridinyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 75434520
N-[(2-methyl-4-propoxyphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 119046394
4-methoxy-3-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]benzamide
CID 55783038
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55672045
N-(2,4-dimethylphenyl)-3-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334933
methyl 2-[4-[3-(2-chlorophenyl)propanoylamino]-3-methylphenoxy]acetate
CID 55916365
N-(3-acetamido-4-fluorophenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38019003
N-(4-propan-2-ylphenyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38012862
methyl 2-[4-(4-aminobutanoylamino)-3-methylphenoxy]acetate
CID 119299848
N-[(2R)-3-methylbutan-2-yl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 51886384
N-[(4-methylphenyl)methyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 38039853
N-[3-(1,3-benzodioxol-5-yloxymethyl)phenyl]-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 55804811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate?
The IUPAC name of methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate (CID 55915985) is methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)CCc2nnc(-c3ccsc3)o2)c(C)c1.
What is the InChIKey of methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate?
The InChIKey is IMWMFKNUZVSULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-9-14(26-10-18(24)25-2)3-4-15(12)20-16(23)5-6-17-21-22-19(27-17)13-7-8-28-11-13/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,20,23).
What are the key properties of methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate?
methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate has a molecular weight of 401.44 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-methyl-4-[3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 55915985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).