[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium

C30H28N2O2P+ — CID 3089961

IUPAC[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCCCC2)cc1
InChIInChI=1S/C30H28N2O2P/c1-5-14-24(15-6-1)35(25-16-7-2-8-17-25,26-18-9-3-10-19-26)29-30(32-21-11-4-12-22-32)34-28(31-29)27-20-13-23-33-27/h1-3,5-10,13-20,23H,4,11-12,21-22H2/q+1
InChIKeyCBWJQUXJFPFTRV-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.54
Rot. Bonds6

About [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium

[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3089961) has the molecular formula C30H28N2O2P+ and a molecular weight of 479.54 g/mol. Its IUPAC name is [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3089961
Molecular FormulaC30H28N2O2P+
Molecular Weight479.54 g/mol
Exact Mass479.19
IUPAC Name[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCCCC2)cc1
InChIInChI=1S/C30H28N2O2P/c1-5-14-24(15-6-1)35(25-16-7-2-8-17-25,26-18-9-3-10-19-26)29-30(32-21-11-4-12-22-32)34-28(31-29)27-20-13-23-33-27/h1-3,5-10,13-20,23H,4,11-12,21-22H2/q+1
InChIKeyCBWJQUXJFPFTRV-UHFFFAOYSA-N
XLogP5.54
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(furan-2-yl)-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18528090
[2-(furan-2-yl)-5-sulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3089967
triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium
CID 4064702
[2-(furan-2-yl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium;hydroiodide
CID 126959135
[5-ethylsulfanyl-2-(furan-2-yl)-1,3-oxazol-4-yl]-triphenylphosphanium iodide
CID 18552796
5-(azepan-1-yl)-4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazole
CID 18826464
(2-methyl-5-morpholin-4-yl-1,3-oxazol-4-yl)-triphenylphosphanium iodide
CID 45046577
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[cyclopropyl(phenyl)methyl]piperidine-4-carboxamide
CID 55631863
4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)piperazine-1-carboxamide
CID 78888422
methyl 2-(2-chlorophenyl)-2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetate
CID 55591678
2-(furan-2-yl)-5-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 55568817
2-(furan-2-yl)-5-[4-[(E)-3-phenylbut-2-enoyl]piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 94654381

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3089961) is [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium is c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(-c3ccco3)oc2N2CCCCC2)cc1.
What is the InChIKey of [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is CBWJQUXJFPFTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2P/c1-5-14-24(15-6-1)35(25-16-7-2-8-17-25,26-18-9-3-10-19-26)29-30(32-21-11-4-12-22-32)34-28(31-29)27-20-13-23-33-27/h1-3,5-10,13-20,23H,4,11-12,21-22H2/q+1.
What are the key properties of [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium?
[2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 479.54 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-5-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).