1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one

C19H25FN4O2 — CID 110610777

IUPAC1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CC(CC)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H25FN4O2/c1-3-14(15-5-7-16(20)8-6-15)13-18(25)23-9-11-24(12-10-23)19-22-21-17(4-2)26-19/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAUWBNHODPQMRCT-UHFFFAOYSA-N
MW360.43 g/mol
LogP3.00
Rot. Bonds6

About 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one (PubChem CID 110610777) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
PubChem CID110610777
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CC(CC)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C19H25FN4O2/c1-3-14(15-5-7-16(20)8-6-15)13-18(25)23-9-11-24(12-10-23)19-22-21-17(4-2)26-19/h5-8,14H,3-4,9-13H2,1-2H3
InChIKeyAUWBNHODPQMRCT-UHFFFAOYSA-N
XLogP3.00
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-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

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-methyl-3-(4-propan-2-ylphenyl)pentan-1-one
CID 110419772
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110665148
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
CID 110419224
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110610820
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
3-(4-fluorophenyl)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419586
(E)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylprop-2-en-1-one
CID 110417316
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110617483

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one?
The IUPAC name of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one (CID 110610777) is 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one.
What is the SMILES notation for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one?
The canonical SMILES for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one is CCc1nnc(N2CCN(C(=O)CC(CC)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one?
The InChIKey is AUWBNHODPQMRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-3-14(15-5-7-16(20)8-6-15)13-18(25)23-9-11-24(12-10-23)19-22-21-17(4-2)26-19/h5-8,14H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one?
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one has a molecular weight of 360.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(4-fluorophenyl)pentan-1-one is sourced from PubChem (CID 110610777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).