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

C17H15N3O5 — CID 8523315

IUPAC[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C17H15N3O5/c21-14(9-12-5-2-1-3-6-12)18-10-16(22)24-11-15-19-20-17(25-15)13-7-4-8-23-13/h1-8H,9-11H2,(H,18,21)
InChIKeyMHTJEZLAEMHPNE-UHFFFAOYSA-N
MW341.32 g/mol
LogP1.73
Rot. Bonds7

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

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate (PubChem CID 8523315) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
PubChem CID8523315
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
SMILESO=C(Cc1ccccc1)NCC(=O)OCc1nnc(-c2ccco2)o1
InChIInChI=1S/C17H15N3O5/c21-14(9-12-5-2-1-3-6-12)18-10-16(22)24-11-15-19-20-17(25-15)13-7-4-8-23-13/h1-8H,9-11H2,(H,18,21)
InChIKeyMHTJEZLAEMHPNE-UHFFFAOYSA-N
XLogP1.73
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-phenylpropanoate
CID 7958020
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-phenoxyacetate
CID 7980221
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate
CID 7885551
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-nitrophenyl)acetate
CID 8765731
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 5-bromofuran-2-carboxylate
CID 8014045
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-fluorophenyl)propanoate
CID 8552674
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8575738
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-benzoylphenoxy)acetate
CID 8925453
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-hydroxybenzoate
CID 7797636
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 9272371
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl thiophene-2-carboxylate
CID 8630987

Frequently Asked Questions

What is the IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate (CID 8523315) is [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate is O=C(Cc1ccccc1)NCC(=O)OCc1nnc(-c2ccco2)o1.
What is the InChIKey of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is MHTJEZLAEMHPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-14(9-12-5-2-1-3-6-12)18-10-16(22)24-11-15-19-20-17(25-15)13-7-4-8-23-13/h1-8H,9-11H2,(H,18,21).
What are the key properties of [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate?
[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 341.32 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 8523315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).