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

C20H16FN3O5 — CID 24982441

IUPAC[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16FN3O5/c21-15-8-6-13(7-9-15)16(25)10-11-18(27)28-12-17(26)22-20-24-23-19(29-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,24,26)
InChIKeyONTNXLBGQJNFDW-UHFFFAOYSA-N
MW397.36 g/mol
LogP3.02
Rot. Bonds8

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

[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 24982441) has the molecular formula C20H16FN3O5 and a molecular weight of 397.36 g/mol. Its IUPAC name is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID24982441
Molecular FormulaC20H16FN3O5
Molecular Weight397.36 g/mol
Exact Mass397.11
IUPAC Name[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H16FN3O5/c21-15-8-6-13(7-9-15)16(25)10-11-18(27)28-12-17(26)22-20-24-23-19(29-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,24,26)
InChIKeyONTNXLBGQJNFDW-UHFFFAOYSA-N
XLogP3.02
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 53.02
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] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 24982441) is [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc(F)cc1)Nc1nnc(-c2ccccc2)o1.
What is the InChIKey of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is ONTNXLBGQJNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O5/c21-15-8-6-13(7-9-15)16(25)10-11-18(27)28-12-17(26)22-20-24-23-19(29-20)14-4-2-1-3-5-14/h1-9H,10-12H2,(H,22,24,26).
What are the key properties of [2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 397.36 g/mol, XLogP of 3.02, 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-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 24982441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).