[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

C23H25FN4O3 — CID 78881158

IUPAC[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c1
InChIInChI=1S/C23H25FN4O3/c1-15-13-17(7-8-20(15)24)21-25-22(31-26-21)16(2)27-9-11-28(12-10-27)23(29)18-5-4-6-19(14-18)30-3/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyXLPZCPDCGHGJHU-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.71
Rot. Bonds5

About [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 78881158) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID78881158
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC Name[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c1
InChIInChI=1S/C23H25FN4O3/c1-15-13-17(7-8-20(15)24)21-25-22(31-26-21)16(2)27-9-11-28(12-10-27)23(29)18-5-4-6-19(14-18)30-3/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyXLPZCPDCGHGJHU-UHFFFAOYSA-N
XLogP3.71
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]benzoate
CID 55830701
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78881389
(3,5-dimethoxy-4-methylphenyl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 43073653
2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]phenol
CID 86993111
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
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384
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
3-(4-fluoro-3-methylphenyl)-5-[1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 78896836
N-benzyl-2-[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]acetamide
CID 78898091
tert-butyl N-[1-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidin-4-yl]carbamate
CID 78899802
methyl 4-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carboxylate
CID 78865009
(3,4-diethoxyphenyl)-[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 38779909

Frequently Asked Questions

What is the IUPAC name of [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 78881158) is [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(C)c3nc(-c4ccc(F)c(C)c4)no3)CC2)c1.
What is the InChIKey of [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is XLPZCPDCGHGJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15-13-17(7-8-20(15)24)21-25-22(31-26-21)16(2)27-9-11-28(12-10-27)23(29)18-5-4-6-19(14-18)30-3/h4-8,13-14,16H,9-12H2,1-3H3.
What are the key properties of [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 424.48 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 78881158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).