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

C20H20FN5O2 — CID 39985558

IUPACN-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-6-8-17(9-7-16)22-20(27)26-12-10-25(11-13-26)14-18-23-19(24-28-18)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,27)
InChIKeySMFYCSNKCIVWOT-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.23
Rot. Bonds4

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

N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 39985558) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID39985558
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-6-8-17(9-7-16)22-20(27)26-12-10-25(11-13-26)14-18-23-19(24-28-18)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,27)
InChIKeySMFYCSNKCIVWOT-UHFFFAOYSA-N
XLogP3.23
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-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

Related Compounds

N-(4-fluorophenyl)-2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 45281436
2-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 45281557
(4-benzylpiperazin-1-yl)-[1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 38151790
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 750957
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-cyanophenyl)piperazine-1-carboxamide
CID 38884826
N-(4-fluorophenyl)-2-[4-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
CID 55410758
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
(4-fluorophenyl)-[4-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 36954997
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
N-(4-fluorophenyl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 100762327
1-[1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylurea
CID 134042168

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide (CID 39985558) is N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is SMFYCSNKCIVWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-6-8-17(9-7-16)22-20(27)26-12-10-25(11-13-26)14-18-23-19(24-28-18)15-4-2-1-3-5-15/h1-9H,10-14H2,(H,22,27).
What are the key properties of N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 39985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).