2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite

C20H24NO4P — CID 102464206

IUPAC2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite
SMILESCOP(OC)OC(C)(C)C1=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C20H24NO4P/c1-19(2,25-26(22-3)23-4)18-21-20(15-24-18,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,15H2,1-4H3
InChIKeyJUQXDJBXVKOMKS-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.67
Rot. Bonds7

About 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite

2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite (PubChem CID 102464206) has the molecular formula C20H24NO4P and a molecular weight of 373.39 g/mol. Its IUPAC name is 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite.

Molecular Properties

Compound Name2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite
PubChem CID102464206
Molecular FormulaC20H24NO4P
Molecular Weight373.39 g/mol
Exact Mass373.14
IUPAC Name2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite
SMILESCOP(OC)OC(C)(C)C1=NC(c2ccccc2)(c2ccccc2)CO1
InChIInChI=1S/C20H24NO4P/c1-19(2,25-26(22-3)23-4)18-21-20(15-24-18,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,15H2,1-4H3
InChIKeyJUQXDJBXVKOMKS-UHFFFAOYSA-N
XLogP4.67
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite?
The IUPAC name of 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite (CID 102464206) is 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite.
What is the SMILES notation for 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite?
The canonical SMILES for 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite is COP(OC)OC(C)(C)C1=NC(c2ccccc2)(c2ccccc2)CO1.
What is the InChIKey of 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite?
The InChIKey is JUQXDJBXVKOMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO4P/c1-19(2,25-26(22-3)23-4)18-21-20(15-24-18,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,15H2,1-4H3.
What are the key properties of 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite?
2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite has a molecular weight of 373.39 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-diphenyl-5H-1,3-oxazol-2-yl)propan-2-yl dimethyl phosphite is sourced from PubChem (CID 102464206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).