triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium

C32H37N3OP+ — CID 4064702

IUPACtriphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(CN3CCCCC3)oc2N2CCCCC2)cc1
InChIInChI=1S/C32H37N3OP/c1-6-16-27(17-7-1)37(28-18-8-2-9-19-28,29-20-10-3-11-21-29)31-32(35-24-14-5-15-25-35)36-30(33-31)26-34-22-12-4-13-23-34/h1-3,6-11,16-21H,4-5,12-15,22-26H2/q+1
InChIKeyRIPJXNVQDZXFQH-UHFFFAOYSA-N
MW510.64 g/mol
LogP5.27
Rot. Bonds7

About triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium

triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium (PubChem CID 4064702) has the molecular formula C32H37N3OP+ and a molecular weight of 510.64 g/mol. Its IUPAC name is triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium
PubChem CID4064702
Molecular FormulaC32H37N3OP+
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Nametriphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium
SMILESc1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(CN3CCCCC3)oc2N2CCCCC2)cc1
InChIInChI=1S/C32H37N3OP/c1-6-16-27(17-7-1)37(28-18-8-2-9-19-28,29-20-10-3-11-21-29)31-32(35-24-14-5-15-25-35)36-30(33-31)26-34-22-12-4-13-23-34/h1-3,6-11,16-21H,4-5,12-15,22-26H2/q+1
InChIKeyRIPJXNVQDZXFQH-UHFFFAOYSA-N
XLogP5.27
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 55.27
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-piperidin-1-yl-1,3-oxazol-4-yl]-triphenylphosphanium
CID 3089961
[2-[(1,3-dioxoisoindol-2-yl)methyl]-5-morpholin-4-yl-1,3-oxazol-4-yl]-triphenylphosphanium perchlorate
CID 91962887
2-(piperidin-1-ylmethyl)-3-pyrrolidin-1-ylbenzo[f]chromen-1-one
CID 3040349
5-(azepan-1-yl)-2-benzyl-1,3-oxazole-4-carbonitrile
CID 18822883
3-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 39755777
1-benzylazepane
CID 10954328
1-(1,3-benzoxazol-2-ylmethyl)azepane-2-carboxylic acid
CID 64563936
2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
triphenyl-[[4-(piperidin-1-ylmethyl)phenyl]methyl]phosphanium bromide
CID 22990018
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 68621530
4-(benzenesulfonyl)-2-butyl-5-piperidin-1-yl-1,3-oxazole
CID 4511912
buta-1,2,3-triene;2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;propa-1,2-diene;hydrochloride
CID 159019731

Frequently Asked Questions

What is the IUPAC name of triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium?
The IUPAC name of triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium (CID 4064702) is triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium.
What is the SMILES notation for triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium?
The canonical SMILES for triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium is c1ccc([P+](c2ccccc2)(c2ccccc2)c2nc(CN3CCCCC3)oc2N2CCCCC2)cc1.
What is the InChIKey of triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium?
The InChIKey is RIPJXNVQDZXFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3OP/c1-6-16-27(17-7-1)37(28-18-8-2-9-19-28,29-20-10-3-11-21-29)31-32(35-24-14-5-15-25-35)36-30(33-31)26-34-22-12-4-13-23-34/h1-3,6-11,16-21H,4-5,12-15,22-26H2/q+1.
What are the key properties of triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium?
triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium has a molecular weight of 510.64 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[5-piperidin-1-yl-2-(piperidin-1-ylmethyl)-1,3-oxazol-4-yl]phosphanium is sourced from PubChem (CID 4064702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).