methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

C14H14NO3P — CID 3079425

IUPACmethyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCP(=O)(O)C1CC(c2cccc3ccccc23)=NO1
InChIInChI=1S/C14H14NO3P/c1-19(16,17)14-9-13(15-18-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyVCZDPRGJLIEUPL-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.19
Rot. Bonds2

About methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid

methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (PubChem CID 3079425) has the molecular formula C14H14NO3P and a molecular weight of 275.24 g/mol. Its IUPAC name is methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.

Molecular Properties

Compound Namemethyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
PubChem CID3079425
Molecular FormulaC14H14NO3P
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Namemethyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid
SMILESCP(=O)(O)C1CC(c2cccc3ccccc23)=NO1
InChIInChI=1S/C14H14NO3P/c1-19(16,17)14-9-13(15-18-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,17)
InChIKeyVCZDPRGJLIEUPL-UHFFFAOYSA-N
XLogP3.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The IUPAC name of methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid (CID 3079425) is methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid.
What is the SMILES notation for methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The canonical SMILES for methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is CP(=O)(O)C1CC(c2cccc3ccccc23)=NO1.
What is the InChIKey of methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
The InChIKey is VCZDPRGJLIEUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NO3P/c1-19(16,17)14-9-13(15-18-14)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,14H,9H2,1H3,(H,16,17).
What are the key properties of methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid?
methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid has a molecular weight of 275.24 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(3-naphthalen-1-yl-4,5-dihydro-1,2-oxazol-5-yl)phosphinic acid is sourced from PubChem (CID 3079425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).