3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C20H20FN5O2 — CID 110333846

IUPAC3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-6-2-1-5-15(16)20-24-23-18(28-20)8-9-19(27)26-13-11-25(12-14-26)17-7-3-4-10-22-17/h1-7,10H,8-9,11-14H2
InChIKeyLLCXKMMLIAFJCY-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.55
Rot. Bonds5

About 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 110333846) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID110333846
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-6-2-1-5-15(16)20-24-23-18(28-20)8-9-19(27)26-13-11-25(12-14-26)17-7-3-4-10-22-17/h1-7,10H,8-9,11-14H2
InChIKeyLLCXKMMLIAFJCY-UHFFFAOYSA-N
XLogP2.55
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one 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

4-{[4-(2-Pyridinyl)-1-piperazinyl]carbonyl}benzyl 2,2,2-trifluoroethyl ether
CID 1091772
8-(4-{4-[3-(5-Methyl-[1,3,4]oxadiazol-2-yl)-pyridin-2-yl]-piperazin-1-yl}-butyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 13771049
1-[1-[2-[5-(3,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 25152563
US10590140, Example 100
CID 132088780
2-[[4-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 2998677
2-(2-fluorophenyl)-5-[[(1S,4S,5S)-2-methyl-5-propan-2-yl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]cyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazole
CID 45784107
1-[1-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 46232562
2-Phenyl-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162649027
2-(4-Nitrophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162654477
2-(4-Chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162656066
2-(2,4-Difluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162657748
2-(4-Fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162659720

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 110333846) is 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is O=C(CCc1nnc(-c2ccccc2F)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is LLCXKMMLIAFJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-6-2-1-5-15(16)20-24-23-18(28-20)8-9-19(27)26-13-11-25(12-14-26)17-7-3-4-10-22-17/h1-7,10H,8-9,11-14H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 381.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110333846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).