2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C26H22ClFN4O3 — CID 50745912

IUPAC2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H22ClFN4O3/c27-20-9-3-1-7-18(20)25-29-26(35-30-25)19-8-2-6-12-23(19)34-17-24(33)32-15-13-31(14-16-32)22-11-5-4-10-21(22)28/h1-12H,13-17H2
InChIKeyHJGHDJFSFFEBON-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.92
Rot. Bonds6

About 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 50745912) has the molecular formula C26H22ClFN4O3 and a molecular weight of 492.94 g/mol. Its IUPAC name is 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID50745912
Molecular FormulaC26H22ClFN4O3
Molecular Weight492.94 g/mol
Exact Mass492.14
IUPAC Name2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H22ClFN4O3/c27-20-9-3-1-7-18(20)25-29-26(35-30-25)19-8-2-6-12-23(19)34-17-24(33)32-15-13-31(14-16-32)22-11-5-4-10-21(22)28/h1-12H,13-17H2
InChIKeyHJGHDJFSFFEBON-UHFFFAOYSA-N
XLogP4.92
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(hydroxymethyl)phenoxy]ethanone
CID 110891889
2-(4-bromo-2-chlorophenoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 1233602
[5-amino-3-(2-chlorophenyl)-1,2-oxazol-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 66576077
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenoxyethanone
CID 807242
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
N-(2-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropanamide
CID 108950699
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 50745782
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
2-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032720

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 50745912) is 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is HJGHDJFSFFEBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClFN4O3/c27-20-9-3-1-7-18(20)25-29-26(35-30-25)19-8-2-6-12-23(19)34-17-24(33)32-15-13-31(14-16-32)22-11-5-4-10-21(22)28/h1-12H,13-17H2.
What are the key properties of 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 492.94 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 50745912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).