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

C13H15FN4O — CID 28808882

IUPAC2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-17-13(19-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyPPHYNQRMVWDPOQ-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.21
Rot. Bonds3

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

2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole (PubChem CID 28808882) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole
PubChem CID28808882
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole
SMILESFc1ccc(Cc2nnc(N3CCNCC3)o2)cc1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-17-13(19-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2
InChIKeyPPHYNQRMVWDPOQ-UHFFFAOYSA-N
XLogP1.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dibenzyl-1,3,4-oxadiazol-2-amine
CID 16096935
N-(5-(4-fluorobenzyl)-1,3,4-oxadiazol-2-yl)acetamide
CID 16917491
1-(5-(4-Fluorobenzyl)-1,3,4-oxadiazol-2-yl)-3-(2-methoxyethyl)urea
CID 45551543
1-Allyl-3-(5-benzyl-1,3,4-oxadiazol-2-yl)urea
CID 45551521
2,2-dimethyl-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159461
N-{2-Phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159462
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 53159463
2-Methyl-N-{2-phenyl-1-[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]ethyl}propanamide
CID 53159464
N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159465
N-{Phenyl[5-(piperidin-1-YL)-1,3,4-oxadiazol-2-YL]methyl}acetamide
CID 53159682
2-(4-fluorophenyl)-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099466
3-methyl-N-[(1S)-1-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]butanamide
CID 95099510

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole (CID 28808882) is 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole is Fc1ccc(Cc2nnc(N3CCNCC3)o2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
The InChIKey is PPHYNQRMVWDPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-3-1-10(2-4-11)9-12-16-17-13(19-12)18-7-5-15-6-8-18/h1-4,15H,5-9H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole?
2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole has a molecular weight of 262.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-5-piperazin-1-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).