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

C20H19N3O4 — CID 9412822

IUPAC[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
SMILESCc1ccc(-c2nnc([C@H](C)OC(=O)CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-8-10-16(11-9-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyUHINJMMVGUIDPC-AWEZNQCLSA-N
MW365.39 g/mol
LogP3.08
Rot. Bonds6

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

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate (PubChem CID 9412822) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
PubChem CID9412822
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
SMILESCc1ccc(-c2nnc([C@H](C)OC(=O)CNC(=O)c3ccccc3)o2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-8-10-16(11-9-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,21,25)/t14-/m0/s1
InChIKeyUHINJMMVGUIDPC-AWEZNQCLSA-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

1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-benzamidoacetate
CID 18209821
[(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
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 9418213
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55389999
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
CID 43031824
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 8955052
[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] naphthalene-2-carboxylate
CID 9416628

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate?
The IUPAC name of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate (CID 9412822) is [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate.
What is the SMILES notation for [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate?
The canonical SMILES for [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate is Cc1ccc(-c2nnc([C@H](C)OC(=O)CNC(=O)c3ccccc3)o2)cc1.
What is the InChIKey of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate?
The InChIKey is UHINJMMVGUIDPC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-8-10-16(11-9-13)20-23-22-19(27-20)14(2)26-17(24)12-21-18(25)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,21,25)/t14-/m0/s1.
What are the key properties of [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate?
[(1S)-1-[5-(4-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 [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate is sourced from PubChem (CID 9412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).