1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

C25H26FN5O2 — CID 78899147

IUPAC1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1cc(-c2noc(C(C)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)ccc1F
InChIInChI=1S/C25H26FN5O2/c1-16-13-18(7-8-21(16)26)24-28-25(33-29-24)17(2)30-9-11-31(12-10-30)23(32)14-19-15-27-22-6-4-3-5-20(19)22/h3-8,13,15,17,27H,9-12,14H2,1-2H3
InChIKeyNXXSWDWNSAZLGZ-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.11
Rot. Bonds5

About 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 78899147) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID78899147
Molecular FormulaC25H26FN5O2
Molecular Weight447.51 g/mol
Exact Mass447.21
IUPAC Name1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1cc(-c2noc(C(C)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)ccc1F
InChIInChI=1S/C25H26FN5O2/c1-16-13-18(7-8-21(16)26)24-28-25(33-29-24)17(2)30-9-11-31(12-10-30)23(32)14-19-15-27-22-6-4-3-5-20(19)22/h3-8,13,15,17,27H,9-12,14H2,1-2H3
InChIKeyNXXSWDWNSAZLGZ-UHFFFAOYSA-N
XLogP4.11
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78881389
N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 78898091
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
5-[1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole
CID 78881162
1-[3-fluoro-4-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenyl]ethanone
CID 78881465
2-[[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methyl]quinazolin-4-amine
CID 78898819
3-(4-fluoro-3-methylphenyl)-5-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 78896836
1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]butan-1-one
CID 42952118
2-amino-1-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 119855482
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
3-(4-fluorophenyl)-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 55961139
7-amino-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]heptan-1-one
CID 119857095

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 78899147) is 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is Cc1cc(-c2noc(C(C)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)ccc1F.
What is the InChIKey of 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is NXXSWDWNSAZLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-16-13-18(7-8-21(16)26)24-28-25(33-29-24)17(2)30-9-11-31(12-10-30)23(32)14-19-15-27-22-6-4-3-5-20(19)22/h3-8,13,15,17,27H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 447.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 78899147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).