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

C20H17N3O5 — CID 7793869

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H17N3O5/c1-26-16-9-5-6-14(12-16)10-11-18(25)27-13-17(24)21-20-23-22-19(28-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,23,24)/b11-10+
InChIKeyPXZLHFMUVYXJIS-ZHACJKMWSA-N
MW379.37 g/mol
LogP2.94
Rot. Bonds7

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (PubChem CID 7793869) 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] (E)-3-(3-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
PubChem CID7793869
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] (E)-3-(3-methoxyphenyl)prop-2-enoate
SMILESCOc1cccc(/C=C/C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H17N3O5/c1-26-16-9-5-6-14(12-16)10-11-18(25)27-13-17(24)21-20-23-22-19(28-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,23,24)/b11-10+
InChIKeyPXZLHFMUVYXJIS-ZHACJKMWSA-N
XLogP2.94
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] furan-2-carboxylate
CID 7814111
3-fluoro-N-(5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4626316
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methoxybenzamide
CID 5076360
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(3-methylphenoxy)butanamide
CID 2124393
[2-Oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-phenoxybenzoate
CID 2127774
2-phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 3373841
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-phenoxyacetamide
CID 3483535
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 4649009
N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 5084468
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
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597320

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate (CID 7793869) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate is COc1cccc(/C=C/C(=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] (E)-3-(3-methoxyphenyl)prop-2-enoate?
The InChIKey is PXZLHFMUVYXJIS-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-26-16-9-5-6-14(12-16)10-11-18(25)27-13-17(24)21-20-23-22-19(28-20)15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,21,23,24)/b11-10+.
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate has a molecular weight of 379.37 g/mol, XLogP of 2.94, 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] (E)-3-(3-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7793869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).