ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate

C18H21FN4O5 — CID 155960702

IUPACethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)CC1
InChIInChI=1S/C18H21FN4O5/c1-2-27-17(25)22-9-7-21(8-10-22)16(24)12-23-15(20-28-18(23)26)11-13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyZBPGAKWVDSMJIF-UHFFFAOYSA-N
MW392.39 g/mol
LogP0.87
Rot. Bonds5

About ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate (PubChem CID 155960702) has the molecular formula C18H21FN4O5 and a molecular weight of 392.39 g/mol. Its IUPAC name is ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate
PubChem CID155960702
Molecular FormulaC18H21FN4O5
Molecular Weight392.39 g/mol
Exact Mass392.15
IUPAC Nameethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)CC1
InChIInChI=1S/C18H21FN4O5/c1-2-27-17(25)22-9-7-21(8-10-22)16(24)12-23-15(20-28-18(23)26)11-13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3
InChIKeyZBPGAKWVDSMJIF-UHFFFAOYSA-N
XLogP0.87
TPSA97.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate (CID 155960702) is ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2c(Cc3ccc(F)cc3)noc2=O)CC1.
What is the InChIKey of ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is ZBPGAKWVDSMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O5/c1-2-27-17(25)22-9-7-21(8-10-22)16(24)12-23-15(20-28-18(23)26)11-13-3-5-14(19)6-4-13/h3-6H,2,7-12H2,1H3.
What are the key properties of ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 392.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[3-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-oxadiazol-4-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 155960702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).