[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C26H30FN5O2 — CID 46051863

IUPAC[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1coc(CN2CCN(Cc3ccccc3F)CC2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30FN5O2/c27-23-9-5-4-6-21(23)18-29-10-12-30(13-11-29)19-25-28-24(20-34-25)26(33)32-16-14-31(15-17-32)22-7-2-1-3-8-22/h1-9,20H,10-19H2
InChIKeyDFPFBZDBNYDSNT-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.09
Rot. Bonds6

About [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 46051863) has the molecular formula C26H30FN5O2 and a molecular weight of 463.56 g/mol. Its IUPAC name is [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID46051863
Molecular FormulaC26H30FN5O2
Molecular Weight463.56 g/mol
Exact Mass463.24
IUPAC Name[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1coc(CN2CCN(Cc3ccccc3F)CC2)n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H30FN5O2/c27-23-9-5-4-6-21(23)18-29-10-12-30(13-11-29)19-25-28-24(20-34-25)26(33)32-16-14-31(15-17-32)22-7-2-1-3-8-22/h1-9,20H,10-19H2
InChIKeyDFPFBZDBNYDSNT-UHFFFAOYSA-N
XLogP3.09
TPSA56.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 46051871
(4-ethylpiperazin-1-yl)-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42850996
[2-(2-aminoethyl)-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3854320
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986635
(4-benzylpiperazin-1-yl)-[2-[[4-(furan-3-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856327
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051481
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986721
ethyl 1-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 42850765
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051435
[2-[(2-fluorophenyl)methylamino]pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109305262

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 46051863) is [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1coc(CN2CCN(Cc3ccccc3F)CC2)n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is DFPFBZDBNYDSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O2/c27-23-9-5-4-6-21(23)18-29-10-12-30(13-11-29)19-25-28-24(20-34-25)26(33)32-16-14-31(15-17-32)22-7-2-1-3-8-22/h1-9,20H,10-19H2.
What are the key properties of [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 463.56 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 46051863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).