4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide

C20H20FN5O3 — CID 17436437

IUPAC4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C20H20FN5O3/c21-16-8-6-15(7-9-16)18-23-26(20(28)29-18)14-24-10-12-25(13-11-24)19(27)22-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27)
InChIKeyYONDJGVOYUYTOA-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.45
Rot. Bonds4

About 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide

4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 17436437) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID17436437
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C20H20FN5O3/c21-16-8-6-15(7-9-16)18-23-26(20(28)29-18)14-24-10-12-25(13-11-24)19(27)22-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27)
InChIKeyYONDJGVOYUYTOA-UHFFFAOYSA-N
XLogP2.45
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide (CID 17436437) is 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is YONDJGVOYUYTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-16-8-6-15(7-9-16)18-23-26(20(28)29-18)14-24-10-12-25(13-11-24)19(27)22-17-4-2-1-3-5-17/h1-9H,10-14H2,(H,22,27).
What are the key properties of 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide?
4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17436437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).