5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole

C20H18NO3P — CID 25212434

IUPAC5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C20H18NO3P/c1-3-25(22,23-2)17-10-11-19-18(13-17)21-20(24-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3
InChIKeyGPAGWSVBQUHVII-UHFFFAOYSA-N
MW351.34 g/mol
LogP5.22
Rot. Bonds4

About 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole

5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole (PubChem CID 25212434) has the molecular formula C20H18NO3P and a molecular weight of 351.34 g/mol. Its IUPAC name is 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole
PubChem CID25212434
Molecular FormulaC20H18NO3P
Molecular Weight351.34 g/mol
Exact Mass351.10
IUPAC Name5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole
SMILESCCP(=O)(OC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C20H18NO3P/c1-3-25(22,23-2)17-10-11-19-18(13-17)21-20(24-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3
InChIKeyGPAGWSVBQUHVII-UHFFFAOYSA-N
XLogP5.22
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.34
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole?
The IUPAC name of 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole (CID 25212434) is 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole?
The canonical SMILES for 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole is CCP(=O)(OC)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole?
The InChIKey is GPAGWSVBQUHVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18NO3P/c1-3-25(22,23-2)17-10-11-19-18(13-17)21-20(24-19)16-9-8-14-6-4-5-7-15(14)12-16/h4-13H,3H2,1-2H3.
What are the key properties of 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole?
5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole has a molecular weight of 351.34 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methoxy)phosphoryl]-2-naphthalen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 25212434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).