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

C20H20FN3O — CID 120756729

IUPAC4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESFc1cccc(C2CNCCN2Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20FN3O/c21-17-8-4-7-16(11-17)19-12-22-9-10-24(19)13-18-14-25-20(23-18)15-5-2-1-3-6-15/h1-8,11,14,19,22H,9-10,12-13H2
InChIKeyPTLTVKHAUSOTSE-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.63
Rot. Bonds4

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

4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (PubChem CID 120756729) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
PubChem CID120756729
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
SMILESFc1cccc(C2CNCCN2Cc2coc(-c3ccccc3)n2)c1
InChIInChI=1S/C20H20FN3O/c21-17-8-4-7-16(11-17)19-12-22-9-10-24(19)13-18-14-25-20(23-18)15-5-2-1-3-6-15/h1-8,11,14,19,22H,9-10,12-13H2
InChIKeyPTLTVKHAUSOTSE-UHFFFAOYSA-N
XLogP3.63
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
2-(3-fluorophenyl)-4-[(2-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119916620
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
7-phenyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-5-one
CID 71880430
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(4-chlorophenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120754342
2-(4-methoxyphenyl)-4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 120755807
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120768598
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-tert-butyl-4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120768597
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole (CID 120756729) is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is Fc1cccc(C2CNCCN2Cc2coc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
The InChIKey is PTLTVKHAUSOTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-8-4-7-16(11-17)19-12-22-9-10-24(19)13-18-14-25-20(23-18)15-5-2-1-3-6-15/h1-8,11,14,19,22H,9-10,12-13H2.
What are the key properties of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole?
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole has a molecular weight of 337.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 120756729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).