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

C24H28FN5O2 — CID 46482685

IUPACN-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C24H28FN5O2/c1-16-7-9-19(10-8-16)22-27-24(32-28-22)18(3)30-13-11-29(12-14-30)17(2)23(31)26-21-6-4-5-20(25)15-21/h4-10,15,17-18H,11-14H2,1-3H3,(H,26,31)
InChIKeyJJEQXJJBLBZRGE-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.89
Rot. Bonds6

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

N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (PubChem CID 46482685) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
PubChem CID46482685
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
SMILESCc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C24H28FN5O2/c1-16-7-9-19(10-8-16)22-27-24(32-28-22)18(3)30-13-11-29(12-14-30)17(2)23(31)26-21-6-4-5-20(25)15-21/h4-10,15,17-18H,11-14H2,1-3H3,(H,26,31)
InChIKeyJJEQXJJBLBZRGE-UHFFFAOYSA-N
XLogP3.89
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanoylamino]benzamide
CID 55628105
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 43073729
N-(3-fluorophenyl)-2-[4-[1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 42930392
[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55678132
N-(cyclopentylcarbamoyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide
CID 55628129
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanamide
CID 55850550
3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-N-phenylpropanamide
CID 46406200
(2S)-2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 9249876
2-(azepan-1-yl)-N-(3-fluorophenyl)propanamide
CID 46630888
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
N-(3-fluorophenyl)-2-[4-[1-(2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 60513033

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide (CID 46482685) is N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is Cc1ccc(-c2noc(C(C)N3CCN(C(C)C(=O)Nc4cccc(F)c4)CC3)n2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
The InChIKey is JJEQXJJBLBZRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16-7-9-19(10-8-16)22-27-24(32-28-22)18(3)30-13-11-29(12-14-30)17(2)23(31)26-21-6-4-5-20(25)15-21/h4-10,15,17-18H,11-14H2,1-3H3,(H,26,31).
What are the key properties of N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide?
N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46482685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).