3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole

C22H24FN3O2 — CID 8972159

IUPAC3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C22H24FN3O2/c1-27-21-8-7-19(23)13-18(21)15-25-9-11-26(12-10-25)16-20-14-22(28-24-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyFFUPJLJIZBXVLQ-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.81
Rot. Bonds6

About 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole

3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 8972159) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
PubChem CID8972159
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole
SMILESCOc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C22H24FN3O2/c1-27-21-8-7-19(23)13-18(21)15-25-9-11-26(12-10-25)16-20-14-22(28-24-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyFFUPJLJIZBXVLQ-UHFFFAOYSA-N
XLogP3.81
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-fluoro-2-methoxyphenyl)methyl]-4-pentylpiperazine
CID 112802116
N-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 120966206
1-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione
CID 9330481
5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2-oxazole
CID 8616101
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 112800791
4-[[4-(4-fluoro-2-methoxyphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809761
1-[(4-fluorophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 2874958
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
1-(2-chlorophenyl)sulfonyl-4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 38749302
3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8871816
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole (CID 8972159) is 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is COc1ccc(F)cc1CN1CCN(Cc2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is FFUPJLJIZBXVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-27-21-8-7-19(23)13-18(21)15-25-9-11-26(12-10-25)16-20-14-22(28-24-20)17-5-3-2-4-6-17/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole?
3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 381.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 8972159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).