1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one

C26H24FN5O4 — CID 50838002

IUPAC1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCOc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)c3)n2)cc1
InChIInChI=1S/C26H24FN5O4/c1-35-20-9-6-18(7-10-20)25-28-26(36-29-25)19-8-11-23(33)32(16-19)17-24(34)31-14-12-30(13-15-31)22-5-3-2-4-21(22)27/h2-11,16H,12-15,17H2,1H3
InChIKeyUXHAZYDSJUWIEM-UHFFFAOYSA-N
MW489.51 g/mol
LogP3.06
Rot. Bonds6

About 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one

1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (PubChem CID 50838002) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
PubChem CID50838002
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one
SMILESCOc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)c3)n2)cc1
InChIInChI=1S/C26H24FN5O4/c1-35-20-9-6-18(7-10-20)25-28-26(36-29-25)19-8-11-23(33)32(16-19)17-24(34)31-14-12-30(13-15-31)22-5-3-2-4-21(22)27/h2-11,16H,12-15,17H2,1H3
InChIKeyUXHAZYDSJUWIEM-UHFFFAOYSA-N
XLogP3.06
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]ethanone
CID 25238267
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methanone
CID 20904799
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyridin-2-one
CID 50837969
2-[5-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]-N-(4-methoxyphenyl)acetamide
CID 53365723
N-butyl-N-ethyl-2-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 53132565
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
1-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-one
CID 53040462
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)butan-1-one
CID 110297247
N-(2-methoxyphenyl)-2-[5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-oxo-1-pyridinyl]acetamide
CID 46393943
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[5-(3-methoxyphenyl)tetrazol-2-yl]ethanone
CID 17494005
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 25238363

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one (CID 50838002) is 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is COc1ccc(-c2noc(-c3ccc(=O)n(CC(=O)N4CCN(c5ccccc5F)CC4)c3)n2)cc1.
What is the InChIKey of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
The InChIKey is UXHAZYDSJUWIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-35-20-9-6-18(7-10-20)25-28-26(36-29-25)19-8-11-23(33)32(16-19)17-24(34)31-14-12-30(13-15-31)22-5-3-2-4-21(22)27/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one?
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one has a molecular weight of 489.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-one is sourced from PubChem (CID 50838002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).