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

C14H16FN3O — CID 120756803

IUPAC3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1cccc(C2CNCCN2Cc2ccon2)c1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(8-12)14-9-16-5-6-18(14)10-13-4-7-19-17-13/h1-4,7-8,14,16H,5-6,9-10H2
InChIKeyLACPGWZHDDJBDP-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.96
Rot. Bonds3

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

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 120756803) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID120756803
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESFc1cccc(C2CNCCN2Cc2ccon2)c1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(8-12)14-9-16-5-6-18(14)10-13-4-7-19-17-13/h1-4,7-8,14,16H,5-6,9-10H2
InChIKeyLACPGWZHDDJBDP-UHFFFAOYSA-N
XLogP1.96
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
CID 120846511
3-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2-oxazole;hydrochloride
CID 120755446
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
2-(3-fluorophenyl)-1-[[1-(4-fluorophenyl)pyrazol-3-yl]methyl]piperazine
CID 120756617
1-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768691
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
1-(cyclopropylmethyl)-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768681
2-(3-fluorophenyl)-1-(3,3,3-trifluoropropyl)piperazine
CID 120756509

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole (CID 120756803) is 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole is Fc1cccc(C2CNCCN2Cc2ccon2)c1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is LACPGWZHDDJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-3-1-2-11(8-12)14-9-16-5-6-18(14)10-13-4-7-19-17-13/h1-4,7-8,14,16H,5-6,9-10H2.
What are the key properties of 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole?
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 261.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 120756803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).