1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate

C20H19N3O4 — CID 18209821

IUPAC1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
SMILESCc1cccc(-c2nnc(C(C)OC(=O)CNC(=O)c3ccccc3)o2)c1
InChIInChI=1S/C20H19N3O4/c1-13-7-6-10-16(11-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,21,25)
InChIKeyFGPFWEYCVXOBFU-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.08
Rot. Bonds6

About 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate

1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate (PubChem CID 18209821) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate.

Molecular Properties

Compound Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
PubChem CID18209821
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
SMILESCc1cccc(-c2nnc(C(C)OC(=O)CNC(=O)c3ccccc3)o2)c1
InChIInChI=1S/C20H19N3O4/c1-13-7-6-10-16(11-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,21,25)
InChIKeyFGPFWEYCVXOBFU-UHFFFAOYSA-N
XLogP3.08
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7604905
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942634
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 8942628
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8943626
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(benzenesulfonamido)acetate
CID 31012168
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-[[3-(difluoromethoxy)benzoyl]amino]acetate
CID 51875156
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 8955052
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-methylsulfonylbenzoate
CID 18199257
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 18092376
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-nitrobenzoate
CID 18169520

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate?
The IUPAC name of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate (CID 18209821) is 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate.
What is the SMILES notation for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate?
The canonical SMILES for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate is Cc1cccc(-c2nnc(C(C)OC(=O)CNC(=O)c3ccccc3)o2)c1.
What is the InChIKey of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate?
The InChIKey is FGPFWEYCVXOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-7-6-10-16(11-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3,(H,21,25).
What are the key properties of 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate?
1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate has a molecular weight of 365.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate is sourced from PubChem (CID 18209821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).