2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole

C21H22FN3O2 — CID 166360904

IUPAC2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(C2CN(Cc3coc(-c4ccc(F)cc4)n3)CCN2)c1
InChIInChI=1S/C21H22FN3O2/c1-26-19-4-2-3-16(11-19)20-13-25(10-9-23-20)12-18-14-27-21(24-18)15-5-7-17(22)8-6-15/h2-8,11,14,20,23H,9-10,12-13H2,1H3
InChIKeyJANFNGALHILHLZ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.64
Rot. Bonds5

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

2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 166360904) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID166360904
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1cccc(C2CN(Cc3coc(-c4ccc(F)cc4)n3)CCN2)c1
InChIInChI=1S/C21H22FN3O2/c1-26-19-4-2-3-16(11-19)20-13-25(10-9-23-20)12-18-14-27-21(24-18)15-5-7-17(22)8-6-15/h2-8,11,14,20,23H,9-10,12-13H2,1H3
InChIKeyJANFNGALHILHLZ-UHFFFAOYSA-N
XLogP3.64
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-4-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 104976745
2-(3-fluorophenyl)-4-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 47025429
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 114681165
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 62547236
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(3-methoxyphenyl)methyl]-2-methylguanidine
CID 111249629
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
N-[[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928002
4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
CID 22352547
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole (CID 166360904) is 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole is COc1cccc(C2CN(Cc3coc(-c4ccc(F)cc4)n3)CCN2)c1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is JANFNGALHILHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-26-19-4-2-3-16(11-19)20-13-25(10-9-23-20)12-18-14-27-21(24-18)15-5-7-17(22)8-6-15/h2-8,11,14,20,23H,9-10,12-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole?
2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 367.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[[3-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 166360904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).