2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole

C12H13NO — CID 69039732

IUPAC2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C12H13NO/c1-2-11-9-14-12(13-11)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyVNEZTRYZDOIVLF-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.21
Rot. Bonds3

About 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole

2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole (PubChem CID 69039732) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole
PubChem CID69039732
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole
SMILESC=CC1COC(Cc2ccccc2)=N1
InChIInChI=1S/C12H13NO/c1-2-11-9-14-12(13-11)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2
InChIKeyVNEZTRYZDOIVLF-UHFFFAOYSA-N
XLogP2.21
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-Dimethyl-2-phenylmethyl-2-oxazoline
CID 98710
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
AG-H-02521
CID 5325154
((4S,5S)-2-Benzyl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 10262798
(4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
CID 72942282
4,4-Dimethyl-2-(2-phenylethyl)-4,5-dihydro-1,3-oxazole
CID 293675
2-Benzyl-4,5-dihydro-1,3-oxazole
CID 299603
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621
(4R)-2-methyl-4-phenyl-4,5-dihydro-1,3-oxazole
CID 10931742
(S)-4-isopropyl-2-phenyloxazoline
CID 10947327
4-Methyl-2-phenyloxazoline
CID 11469237
5(4H)-Oxazolone, 4-methyl-2-(phenylmethyl)-
CID 12246765

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole (CID 69039732) is 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole is C=CC1COC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is VNEZTRYZDOIVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-11-9-14-12(13-11)8-10-6-4-3-5-7-10/h2-7,11H,1,8-9H2.
What are the key properties of 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole?
2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 187.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-ethenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 69039732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).