2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

C18H24FN5O2 — CID 55843314

IUPAC2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1noc(CN2CCN(C(C)C(=O)Nc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H24FN5O2/c1-3-16-21-17(26-22-16)12-23-7-9-24(10-8-23)13(2)18(25)20-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,20,25)
InChIKeyOUNFCSWQHCLVNJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide

2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (PubChem CID 55843314) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
PubChem CID55843314
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
SMILESCCc1noc(CN2CCN(C(C)C(=O)Nc3cccc(F)c3)CC2)n1
InChIInChI=1S/C18H24FN5O2/c1-3-16-21-17(26-22-16)12-23-7-9-24(10-8-23)13(2)18(25)20-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,20,25)
InChIKeyOUNFCSWQHCLVNJ-UHFFFAOYSA-N
XLogP1.92
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propanamide
CID 51087134
N-(3-fluorophenyl)-2-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]propanamide
CID 55841391
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 120902801
2-[4-[2-(3-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 55841889
(2R)-2-[4-[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401572
(2R)-2-[4-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]butanoic acid
CID 129401574
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 60513111
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)propanamide
CID 9433613
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
methyl 5-[[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78900851

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide (CID 55843314) is 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is CCc1noc(CN2CCN(C(C)C(=O)Nc3cccc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
The InChIKey is OUNFCSWQHCLVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-3-16-21-17(26-22-16)12-23-7-9-24(10-8-23)13(2)18(25)20-15-6-4-5-14(19)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,20,25).
What are the key properties of 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide?
2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide has a molecular weight of 361.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 55843314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).