4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole

C15H19NO2 — CID 10988558

IUPAC4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
SMILESCC1(C)COC(COC/C=C/c2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)12-18-14(16-15)11-17-10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyOKBMNHAKRXCYNG-RMKNXTFCSA-N
MW245.32 g/mol
LogP2.92
Rot. Bonds5

About 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole

4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole (PubChem CID 10988558) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
PubChem CID10988558
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
SMILESCC1(C)COC(COC/C=C/c2ccccc2)=N1
InChIInChI=1S/C15H19NO2/c1-15(2)12-18-14(16-15)11-17-10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+
InChIKeyOKBMNHAKRXCYNG-RMKNXTFCSA-N
XLogP2.92
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

{2-[(E)-2-phenylvinyl]-4,5-dihydro-1,3-oxazole-4,4-diyl}dimethanol
CID 1511175
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methoxy-2-phenylethenyl)-
CID 6445996
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
2-Styryl-4,5-dihydrooxazole
CID 54104859
Oxazole, 2-ethenyl-4,5-dihydro-, polymer with ethenylbenzene
CID 66694655
2-Prop-1-en-2-yl-4,5-dihydro-1,3-oxazole;styrene
CID 66616964
4-[(4-Fluorophenyl)methylidene]-2-methyl-1,3-oxazole
CID 152397858
(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-1,3-oxazole
CID 153959835
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 11063472
4-Ethyl-2-styryl-4,5-dihydrooxazole
CID 102025125

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole (CID 10988558) is 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole is CC1(C)COC(COC/C=C/c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole?
The InChIKey is OKBMNHAKRXCYNG-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2)12-18-14(16-15)11-17-10-6-9-13-7-4-3-5-8-13/h3-9H,10-12H2,1-2H3/b9-6+.
What are the key properties of 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole has a molecular weight of 245.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole is sourced from PubChem (CID 10988558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).