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

C14H16FN3O — CID 120846511

IUPAC4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1cccc(C2CNCCN2Cc2cocn2)c1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(6-12)14-7-16-4-5-18(14)8-13-9-19-10-17-13/h1-3,6,9-10,14,16H,4-5,7-8H2
InChIKeyFLMZBNFURCMLPF-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.96
Rot. Bonds3

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

4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 120846511) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
PubChem CID120846511
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole
SMILESFc1cccc(C2CNCCN2Cc2cocn2)c1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-2-11(6-12)14-7-16-4-5-18(14)8-13-9-19-10-17-13/h1-3,6,9-10,14,16H,4-5,7-8H2
InChIKeyFLMZBNFURCMLPF-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

3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 120756729
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
2-(3-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine
CID 120768574
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387
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
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 120768428
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
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 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole (CID 120846511) is 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole is Fc1cccc(C2CNCCN2Cc2cocn2)c1.
What is the InChIKey of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is FLMZBNFURCMLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-3-1-2-11(6-12)14-7-16-4-5-18(14)8-13-9-19-10-17-13/h1-3,6,9-10,14,16H,4-5,7-8H2.
What are the key properties of 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole?
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-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 4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 120846511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).