[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium

C30H27NOP+ — CID 24742720

IUPAC[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
SMILESCc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C30H27NOP/c1-23-18-20-25(21-19-23)30-31-29(24(2)32-30)22-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3/q+1
InChIKeyYXKCAONBQCJDPZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP6.45
Rot. Bonds6

About [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium

[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium (PubChem CID 24742720) has the molecular formula C30H27NOP+ and a molecular weight of 448.53 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
PubChem CID24742720
Molecular FormulaC30H27NOP+
Molecular Weight448.53 g/mol
Exact Mass448.18
IUPAC Name[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium
SMILESCc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1
InChIInChI=1S/C30H27NOP/c1-23-18-20-25(21-19-23)30-31-29(24(2)32-30)22-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3/q+1
InChIKeyYXKCAONBQCJDPZ-UHFFFAOYSA-N
XLogP6.45
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium chloride
CID 24742719
ethane;4-ethyl-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 142936013
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methanamine
CID 46344053
chloro-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-triphenyl-λ5-phosphane
CID 140519078
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
4-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 20955421
4-(iodomethyl)-2-(4-methylphenyl)-5-phenyl-1,3-oxazole
CID 57434504
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
N'-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanimidamide
CID 57365509
N-(4-methylphenyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110649606
1-[1-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-2-phenylethanol
CID 45195639
(2-chloro-5-methylphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 16621729

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium?
The IUPAC name of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium (CID 24742720) is [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium is Cc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C)o2)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium?
The InChIKey is YXKCAONBQCJDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NOP/c1-23-18-20-25(21-19-23)30-31-29(24(2)32-30)22-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-21H,22H2,1-2H3/q+1.
What are the key properties of [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium?
[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium has a molecular weight of 448.53 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl-triphenylphosphanium is sourced from PubChem (CID 24742720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).