(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

C20H19N3O4 — CID 55540086

IUPAC(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESCCc1noc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H19N3O4/c1-2-17-22-19(27-23-17)13-26-20(25)15-10-6-7-11-16(15)21-18(24)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,24)
InChIKeyXGNRTHYCCNOAOM-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.17
Rot. Bonds7

About (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate

(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 55540086) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
PubChem CID55540086
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
SMILESCCc1noc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)n1
InChIInChI=1S/C20H19N3O4/c1-2-17-22-19(27-23-17)13-26-20(25)15-10-6-7-11-16(15)21-18(24)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,24)
InChIKeyXGNRTHYCCNOAOM-UHFFFAOYSA-N
XLogP3.17
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate
CID 46528666
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 2-benzamidobenzoate
CID 30393854
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(methylamino)benzoate
CID 16611330
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1H-indole-3-carboxylate
CID 27535184
(3-propyl-1,2,4-oxadiazol-5-yl)methyl 2-[(3-methylbenzoyl)amino]benzoate
CID 55533338
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methoxy-4-methylsulfanylbenzoate
CID 2450914
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578280
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55539659
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 2-[(2-phenylacetyl)amino]benzoate
CID 8809666
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 1-(4-chlorophenyl)-5-methylpyrazole-4-carboxylate
CID 43043772
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 30125309

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate (CID 55540086) is (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is CCc1noc(COC(=O)c2ccccc2NC(=O)Cc2ccccc2)n1.
What is the InChIKey of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is XGNRTHYCCNOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-2-17-22-19(27-23-17)13-26-20(25)15-10-6-7-11-16(15)21-18(24)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H,21,24).
What are the key properties of (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate?
(3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1,2,4-oxadiazol-5-yl)methyl 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 55540086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).