5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole

C17H20NO4P — CID 166063623

IUPAC5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(OCC)C1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)17-12-16(18-22-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,3-4,12H2,1-2H3
InChIKeyAKAJSIAWPKNHMT-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.56
Rot. Bonds6

About 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole

5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 166063623) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID166063623
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
SMILESCCOP(=O)(OCC)C1CC(c2ccc3ccccc3c2)=NO1
InChIInChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)17-12-16(18-22-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,3-4,12H2,1-2H3
InChIKeyAKAJSIAWPKNHMT-UHFFFAOYSA-N
XLogP4.56
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.56
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 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole (CID 166063623) is 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is CCOP(=O)(OCC)C1CC(c2ccc3ccccc3c2)=NO1.
What is the InChIKey of 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is AKAJSIAWPKNHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-3-20-23(19,21-4-2)17-12-16(18-22-17)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,3-4,12H2,1-2H3.
What are the key properties of 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole?
5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 333.32 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diethoxyphosphoryl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 166063623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).