2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C13H15NO — CID 18681406

IUPAC2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccc(C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C13H15NO/c1-4-10-5-7-11(8-6-10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3
InChIKeyNJBYQXATMUPPBX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 18681406) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID18681406
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESC=Cc1ccc(C2=NC(C)(C)CO2)cc1
InChIInChI=1S/C13H15NO/c1-4-10-5-7-11(8-6-10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3
InChIKeyNJBYQXATMUPPBX-UHFFFAOYSA-N
XLogP2.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenyl-2-oxazoline
CID 244030
4,4-Bis(hydroxymethyl)-2-phenyl-2-oxazoline
CID 254960
4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1)
CID 79249
(4-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 226853
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,4-Dimethyl-2-(4'-methyl-2-biphenylyl)-2-oxazoline
CID 688301
4,4-Dimethyl-2-(2-(methylseleno)phenyl)-2-oxazoline
CID 3517846
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
(4S)-2-(3-methylphenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 17756809
Ethyl benzimidate
CID 79250

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 18681406) is 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole is C=Cc1ccc(C2=NC(C)(C)CO2)cc1.
What is the InChIKey of 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is NJBYQXATMUPPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-10-5-7-11(8-6-10)12-14-13(2,3)9-15-12/h4-8H,1,9H2,2-3H3.
What are the key properties of 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 18681406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).