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

C20H17N3O5 — CID 24686287

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c24-16(14-7-3-1-4-8-14)11-12-18(26)27-13-17(25)21-20-23-22-19(28-20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,25)
InChIKeyPHMHMJGBJBXLRY-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.88
Rot. Bonds8

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate (PubChem CID 24686287) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate
PubChem CID24686287
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H17N3O5/c24-16(14-7-3-1-4-8-14)11-12-18(26)27-13-17(25)21-20-23-22-19(28-20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,25)
InChIKeyPHMHMJGBJBXLRY-UHFFFAOYSA-N
XLogP2.88
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7597312
N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 4149294
N-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexanecarboxamide
CID 3667318
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 5139424
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485399
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 7767186
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-bromobenzoate
CID 7775323
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7793869
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 7845725
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-methylbenzoate
CID 8112872
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-ethoxybenzoate
CID 8606577
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-(3-methoxyphenyl)acetate
CID 8792633

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate (CID 24686287) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate is O=C(COC(=O)CCC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate?
The InChIKey is PHMHMJGBJBXLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c24-16(14-7-3-1-4-8-14)11-12-18(26)27-13-17(25)21-20-23-22-19(28-20)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,23,25).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-oxo-4-phenylbutanoate has a molecular weight of 379.37 g/mol, XLogP of 2.88, 8 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] 4-oxo-4-phenylbutanoate is sourced from PubChem (CID 24686287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).