1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone

C22H22FN3O2 — CID 34181776

IUPAC1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C22H22FN3O2/c1-16(27)17-5-7-21(8-6-17)26-11-9-25(10-12-26)14-20-15-28-22(24-20)18-3-2-4-19(23)13-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyNQGQHDCXPXKBBE-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.01
Rot. Bonds5

About 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 34181776) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
PubChem CID34181776
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1
InChIInChI=1S/C22H22FN3O2/c1-16(27)17-5-7-21(8-6-17)26-11-9-25(10-12-26)14-20-15-28-22(24-20)18-3-2-4-19(23)13-18/h2-8,13,15H,9-12,14H2,1H3
InChIKeyNQGQHDCXPXKBBE-UHFFFAOYSA-N
XLogP4.01
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone with MolForge

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Related Compounds

[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 55591666
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 104976745
2-(3-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 55831124
1-[3-fluoro-4-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]phenyl]ethanone
CID 26384632
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
[4-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 71009964
4-[(4-phenylpiperazin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazole
CID 56669146
1-[4-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1379354
1-[4-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]phenyl]ethanone
CID 1376472
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 65462999

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone (CID 34181776) is 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is NQGQHDCXPXKBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-16(27)17-5-7-21(8-6-17)26-11-9-25(10-12-26)14-20-15-28-22(24-20)18-3-2-4-19(23)13-18/h2-8,13,15H,9-12,14H2,1H3.
What are the key properties of 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 379.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 34181776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).