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

C16H21NO2 — CID 11747319

IUPAC4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole
SMILESCC(OC/C=C/c1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C16H21NO2/c1-13(15-17-16(2,3)12-19-15)18-11-7-10-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3/b10-7+
InChIKeyOFNDMFHVCVNWJD-JXMROGBWSA-N
MW259.35 g/mol
LogP3.31
Rot. Bonds5

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

4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole (PubChem CID 11747319) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole
PubChem CID11747319
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole
SMILESCC(OC/C=C/c1ccccc1)C1=NC(C)(C)CO1
InChIInChI=1S/C16H21NO2/c1-13(15-17-16(2,3)12-19-15)18-11-7-10-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3/b10-7+
InChIKeyOFNDMFHVCVNWJD-JXMROGBWSA-N
XLogP3.31
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-
CID 6311587
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(1-methoxy-2-phenylethenyl)-
CID 6445996
(4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 10272666
4,4-dimethyl-2-[[(E)-3-phenylprop-2-enoxy]methyl]-5H-1,3-oxazole
CID 10988558
4,4-Dimethyl-2-(2-phenylethenyl)-2-oxazoline
CID 121136
(Z,1S)-1-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-phenylbut-2-en-1-ol
CID 134931420
4,4-dimethyl-2-[1-(3-phenylprop-2-ynoxy)ethyl]-5H-1,3-oxazole
CID 10858130
4,4-dimethyl-2-[(E)-1-phenylprop-1-en-2-yl]-5H-1,3-oxazole
CID 10889289
4,4-dimethyl-2-[(Z)-1-phenylprop-1-en-2-yl]-5H-1,3-oxazole
CID 10965907
4,4-dimethyl-2-(3-phenylprop-2-ynoxymethyl)-5H-1,3-oxazole
CID 10966739
(Z)-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-methyl-4-phenylbut-3-en-2-ol
CID 11043480
4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole
CID 11401644

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole (CID 11747319) is 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole is CC(OC/C=C/c1ccccc1)C1=NC(C)(C)CO1.
What is the InChIKey of 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole?
The InChIKey is OFNDMFHVCVNWJD-JXMROGBWSA-N. The full InChI is InChI=1S/C16H21NO2/c1-13(15-17-16(2,3)12-19-15)18-11-7-10-14-8-5-4-6-9-14/h4-10,13H,11-12H2,1-3H3/b10-7+.
What are the key properties of 4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole has a molecular weight of 259.35 g/mol, XLogP of 3.31, 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-[1-[(E)-3-phenylprop-2-enoxy]ethyl]-5H-1,3-oxazole is sourced from PubChem (CID 11747319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).