(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole

C13H15NO — CID 11063472

IUPAC(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C13H15NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3/b9-8+/t12-/m1/s1
InChIKeyRJGPBUVQAGWKMN-IDVQTMNDSA-N
MW201.27 g/mol
LogP2.91
Rot. Bonds3

About (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole

(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11063472) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID11063472
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESCC[C@@H]1COC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C13H15NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3/b9-8+/t12-/m1/s1
InChIKeyRJGPBUVQAGWKMN-IDVQTMNDSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.91
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
AG-H-02521
CID 5325154
2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 21893989
[(4S,5S)-2-((Z)-4-Phenyl-buta-1,3-dienyl)-5-vinyl-4,5-dihydro-oxazol-4-yl]-methanol
CID 44394681
4H-1,3-Oxazine, 5,6-dihydro-2-(2-phenylethenyl)-, (E)-
CID 6444876
methyl (4S)-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 13657821
(4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazole-4-thiol
CID 44394637
((4S,5S)-2-Styryl-5-vinyl-4,5-dihydro-oxazol-4-yl)-methanol
CID 44394873
(4S)-4-benzyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
CID 102142832
methyl (4S)-2-[(E)-2-(4-methylphenyl)ethenyl]-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 156016022
4-Benzyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 4692621

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (CID 11063472) is (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is CC[C@@H]1COC(/C=C/c2ccccc2)=N1.
What is the InChIKey of (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is RJGPBUVQAGWKMN-IDVQTMNDSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-12-10-15-13(14-12)9-8-11-6-4-3-5-7-11/h3-9,12H,2,10H2,1H3/b9-8+/t12-/m1/s1.
What are the key properties of (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 201.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11063472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).