[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate

C18H15N3O4 — CID 7874687

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c22-15(12-24-16(23)11-13-7-3-1-4-8-13)19-18-21-20-17(25-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21,22)
InChIKeySEYPJFDFCSXYNE-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.46
Rot. Bonds6

About [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate (PubChem CID 7874687) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate
PubChem CID7874687
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C18H15N3O4/c22-15(12-24-16(23)11-13-7-3-1-4-8-13)19-18-21-20-17(25-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21,22)
InChIKeySEYPJFDFCSXYNE-UHFFFAOYSA-N
XLogP2.46
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate (CID 7874687) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate?
The InChIKey is SEYPJFDFCSXYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-15(12-24-16(23)11-13-7-3-1-4-8-13)19-18-21-20-17(25-18)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,21,22).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate has a molecular weight of 337.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-phenylacetate is sourced from PubChem (CID 7874687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).