N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide

C25H25N2O3P — CID 132536850

IUPACN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide
SMILESCC1(C)COC(c2ccccc2NC(=O)CP(=O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H25N2O3P/c1-25(2)18-30-24(27-25)21-15-9-10-16-22(21)26-23(28)17-31(29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3,(H,26,28)
InChIKeyAYVRVOGXSYNMIU-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.19
Rot. Bonds6

About N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide

N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide (PubChem CID 132536850) has the molecular formula C25H25N2O3P and a molecular weight of 432.46 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide
PubChem CID132536850
Molecular FormulaC25H25N2O3P
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC NameN-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide
SMILESCC1(C)COC(c2ccccc2NC(=O)CP(=O)(c2ccccc2)c2ccccc2)=N1
InChIInChI=1S/C25H25N2O3P/c1-25(2)18-30-24(27-25)21-15-9-10-16-22(21)26-23(28)17-31(29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3,(H,26,28)
InChIKeyAYVRVOGXSYNMIU-UHFFFAOYSA-N
XLogP4.19
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-2-naphthalen-1-yl-5H-1,3-oxazole
CID 4299365
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 132535218
methyl 2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-6-methoxybenzoate
CID 131843851
4,4-dimethyl-2-(2-methylsulfanylphenyl)-5H-1,3-oxazole
CID 13047584
4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-5H-1,3-oxazole
CID 688301
carbon monoxide;chromium;4,4-dimethyl-2-(2-methylphenyl)-5H-1,3-oxazole
CID 11823541
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)naphthalene-1,2-diol
CID 135501614
2-(2-cyclohexylphenyl)-4,4-dimethyl-5H-1,3-oxazole
CID 15880000
2-(1-ethylnaphthalen-2-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 10848489
2-(3,4-dihydronaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole
CID 15853168

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide?
The IUPAC name of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide (CID 132536850) is N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide.
What is the SMILES notation for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide?
The canonical SMILES for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide is CC1(C)COC(c2ccccc2NC(=O)CP(=O)(c2ccccc2)c2ccccc2)=N1.
What is the InChIKey of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide?
The InChIKey is AYVRVOGXSYNMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O3P/c1-25(2)18-30-24(27-25)21-15-9-10-16-22(21)26-23(28)17-31(29,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16H,17-18H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide?
N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide has a molecular weight of 432.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-2-diphenylphosphorylacetamide is sourced from PubChem (CID 132536850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).