2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

C20H19FN4O3 — CID 15990144

IUPAC2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)CC1
InChIInChI=1S/C20H19FN4O3/c21-15-3-1-2-4-16(15)25-9-7-24(8-10-25)12-19-22-23-20(28-19)14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2
InChIKeyCXANXMMQGFJPQZ-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.93
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole

2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (PubChem CID 15990144) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
PubChem CID15990144
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
SMILESFc1ccccc1N1CCN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)CC1
InChIInChI=1S/C20H19FN4O3/c21-15-3-1-2-4-16(15)25-9-7-24(8-10-25)12-19-22-23-20(28-19)14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2
InChIKeyCXANXMMQGFJPQZ-UHFFFAOYSA-N
XLogP2.93
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

4-(Benzo[d][1,3]dioxol-5-yl)-2-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-phenylpyrid-azin-3(2H)-one (14)
CID 126842803
[{2-[5-(3,4-Dimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetyl}-(4-fluoro-phenyl)-amino]-acetic acid ethyl ester
CID 652722
2-((5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155755
2-(1,3-Benzodioxol-5-YL)-5-[(4-phenylpiperazino)methyl]-1,3,4-oxadiazole
CID 15990219
4-[4-[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 646780
1-{[5-(2H-1,3-Benzodioxol-5-YL)-1,3,4-oxadiazol-2-YL]methyl}-4-(3-methoxyphenyl)piperazine
CID 15990140
1-{[5-(2H-1,3-Benzodioxol-5-YL)-1,3,4-oxadiazol-2-YL]methyl}-4-(2,4-dimethylphenyl)piperazine
CID 15990113
2-(1,3-Benzodioxol-5-yl)-5-{[4-(4-chlorophenyl)piperazino]methyl}-1,3,4-oxadiazole
CID 15990142
1-{[5-(2H-1,3-Benzodioxol-5-YL)-1,3,4-oxadiazol-2-YL]methyl}-4-(5-chloro-2-methylphenyl)piperazine
CID 15990217
1-{[5-(2H-1,3-Benzodioxol-5-YL)-1,3,4-oxadiazol-2-YL]methyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990220
4-[2-[5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(trifluoromethoxy)phenyl]morpholine
CID 155555306
Phenol, 2-methoxy-5-(5-((4-phenyl-1-piperazinyl)methyl)-1,3,4-oxadiazol-2-yl)-
CID 3080236

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole (CID 15990144) is 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is Fc1ccccc1N1CCN(Cc2nnc(-c3ccc4c(c3)OCO4)o2)CC1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is CXANXMMQGFJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-15-3-1-2-4-16(15)25-9-7-24(8-10-25)12-19-22-23-20(28-19)14-5-6-17-18(11-14)27-13-26-17/h1-6,11H,7-10,12-13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole?
2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 382.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 15990144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).