4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole

C24H15F7NO4P — CID 10053142

IUPAC4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1c(-c2ccccc2)noc1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H15F7NO4P/c25-22(26,23(27,28)24(29,30)31)21-20(19(32-34-21)16-10-4-1-5-11-16)37(33,35-17-12-6-2-7-13-17)36-18-14-8-3-9-15-18/h1-15H
InChIKeyLCHLACHQAUUZPO-UHFFFAOYSA-N
MW545.35 g/mol
LogP7.61
Rot. Bonds8

About 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole

4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole (PubChem CID 10053142) has the molecular formula C24H15F7NO4P and a molecular weight of 545.35 g/mol. Its IUPAC name is 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole
PubChem CID10053142
Molecular FormulaC24H15F7NO4P
Molecular Weight545.35 g/mol
Exact Mass545.06
IUPAC Name4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)c1c(-c2ccccc2)noc1C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C24H15F7NO4P/c25-22(26,23(27,28)24(29,30)31)21-20(19(32-34-21)16-10-4-1-5-11-16)37(33,35-17-12-6-2-7-13-17)36-18-14-8-3-9-15-18/h1-15H
InChIKeyLCHLACHQAUUZPO-UHFFFAOYSA-N
XLogP7.61
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.35
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2-oxazol-4-yl]ethanol
CID 11016646
4-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazole
CID 10263127
ethyl 5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-3-phenyl-1,2-oxazole-4-carboxylate
CID 15514968
sodium [4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl] phenyl phosphate
CID 101423427
ethyl 5-[bromo(difluoro)methyl]-3-phenyl-1,2-oxazole-4-carboxylate
CID 23236715
[3,3,4,4,4-pentafluorobut-1-ynyl(phenoxy)phosphoryl]oxybenzene
CID 10915776
bis[(1R)-2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentyl] phenyl phosphate
CID 99683434
1,1,1-trifluoro-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 79797977
potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
hydroxy phenyl (4-phenylphenyl) phosphate
CID 139950736
[4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenyl]methanesulfinate
CID 174716088

Frequently Asked Questions

What is the IUPAC name of 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole?
The IUPAC name of 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole (CID 10053142) is 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole.
What is the SMILES notation for 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole?
The canonical SMILES for 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole is O=P(Oc1ccccc1)(Oc1ccccc1)c1c(-c2ccccc2)noc1C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole?
The InChIKey is LCHLACHQAUUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F7NO4P/c25-22(26,23(27,28)24(29,30)31)21-20(19(32-34-21)16-10-4-1-5-11-16)37(33,35-17-12-6-2-7-13-17)36-18-14-8-3-9-15-18/h1-15H.
What are the key properties of 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole?
4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole has a molecular weight of 545.35 g/mol, XLogP of 7.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenoxyphosphoryl-5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-phenyl-1,2-oxazole is sourced from PubChem (CID 10053142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).