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

C17H15NO — CID 11831815

IUPAC(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccccc1)\C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C17H15NO/c1-3-7-14(8-4-1)11-12-17-18-16(13-19-17)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+/t16-/m0/s1
InChIKeyBMYYOANUEAIYJA-PCUGXKRQSA-N
MW249.31 g/mol
LogP3.87
Rot. Bonds3

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

(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 11831815) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
PubChem CID11831815
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole
SMILESC(=C/c1ccccc1)\C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C17H15NO/c1-3-7-14(8-4-1)11-12-17-18-16(13-19-17)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+/t16-/m0/s1
InChIKeyBMYYOANUEAIYJA-PCUGXKRQSA-N
XLogP3.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)
CID 676388
Ph-box, (R,R)-
CID 676390
2,4-Diphenyl-1,3-oxazoline
CID 10889524
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
(S,S)-2,2'-Methylenebis(4-phenyl-2-oxazoline)
CID 736684
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
(5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazole
CID 10911168
(4S)-4-benzyl-2-(3-methylphenyl)-4,5-dihydro-1,3-oxazole
CID 17756895
2,2'-(Propane-2,2-diyl)bis(4-phenyl-4,5-dihydrooxazole)
CID 3957686

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole (CID 11831815) is (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is C(=C/c1ccccc1)\C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BMYYOANUEAIYJA-PCUGXKRQSA-N. The full InChI is InChI=1S/C17H15NO/c1-3-7-14(8-4-1)11-12-17-18-16(13-19-17)15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+/t16-/m0/s1.
What are the key properties of (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 249.31 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-2-[(E)-2-phenylethenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11831815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).