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

C19H17N3O5 — CID 8792633

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H17N3O5/c1-25-15-9-5-6-13(10-15)11-17(24)26-12-16(23)20-19-22-21-18(27-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,22,23)
InChIKeyPTXGMXKOKSOQMA-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.47
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate (PubChem CID 8792633) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate
PubChem CID8792633
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H17N3O5/c1-25-15-9-5-6-13(10-15)11-17(24)26-12-16(23)20-19-22-21-18(27-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,22,23)
InChIKeyPTXGMXKOKSOQMA-UHFFFAOYSA-N
XLogP2.47
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(3-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate (CID 8792633) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate?
The InChIKey is PTXGMXKOKSOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-25-15-9-5-6-13(10-15)11-17(24)26-12-16(23)20-19-22-21-18(27-19)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,22,23).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate has a molecular weight of 367.36 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 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-(3-methoxyphenyl)acetate is sourced from PubChem (CID 8792633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).