4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole

C14H17NO — CID 11401644

IUPAC4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole
SMILESCc1ccc(/C=C/C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)8-9-13-15-14(2,3)10-16-13/h4-9H,10H2,1-3H3/b9-8+
InChIKeyDMOKKRXMDNBNAE-CMDGGOBGSA-N
MW215.30 g/mol
LogP3.22
Rot. Bonds2

About 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole

4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole (PubChem CID 11401644) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole
PubChem CID11401644
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole
SMILESCc1ccc(/C=C/C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)8-9-13-15-14(2,3)10-16-13/h4-9H,10H2,1-3H3/b9-8+
InChIKeyDMOKKRXMDNBNAE-CMDGGOBGSA-N
XLogP3.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
4H-1,3-Oxazine, 5,6-dihydro-2-(2-phenylethenyl)-, (E)-
CID 6444876
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
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
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

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole (CID 11401644) is 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole is Cc1ccc(/C=C/C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole?
The InChIKey is DMOKKRXMDNBNAE-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NO/c1-11-4-6-12(7-5-11)8-9-13-15-14(2,3)10-16-13/h4-9H,10H2,1-3H3/b9-8+.
What are the key properties of 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(E)-2-(4-methylphenyl)ethenyl]-5H-1,3-oxazole is sourced from PubChem (CID 11401644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).