4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole

C22H18NO2P — CID 11078866

IUPAC4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyPOUXBBAKMBSXBX-UHFFFAOYSA-N
MW359.37 g/mol
LogP4.29
Rot. Bonds4

About 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole

4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole (PubChem CID 11078866) has the molecular formula C22H18NO2P and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
PubChem CID11078866
Molecular FormulaC22H18NO2P
Molecular Weight359.37 g/mol
Exact Mass359.11
IUPAC Name4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
SMILESCc1oc(-c2ccccc2)nc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3
InChIKeyPOUXBBAKMBSXBX-UHFFFAOYSA-N
XLogP4.29
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-diphenylphosphoryl-5-ethyl-2-methyl-1,3-oxazole
CID 101350621
4-diphenylphosphoryl-N,N,2-trimethyl-1,3-oxazol-5-amine
CID 21179105
5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
CID 11694132
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
4-[4-diphenylphosphoryl-2-(2-methylphenyl)-1,3-oxazol-5-yl]morpholine
CID 5133492
4-diphenylphosphoryl-2-methyl-5-piperidin-1-yl-1,3-oxazole
CID 21179106
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
4-[ethoxy(phenyl)phosphoryl]-2-(4-fluorophenyl)-N,N-dimethyl-1,3-oxazol-5-amine
CID 21179121
N-(diaminomethylidene)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 25103539

Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole?
The IUPAC name of 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole (CID 11078866) is 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole is Cc1oc(-c2ccccc2)nc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole?
The InChIKey is POUXBBAKMBSXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18NO2P/c1-17-22(23-21(25-17)18-11-5-2-6-12-18)26(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3.
What are the key properties of 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole?
4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole has a molecular weight of 359.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 11078866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).