[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate

C17H15NO3 — CID 135023659

IUPAC[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate
SMILESCC(=O)O[C@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)21-16(18-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3/t15-,17+/m0/s1
InChIKeyUPMIECOWSZIWBZ-DOTOQJQBSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds3

About [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate

[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate (PubChem CID 135023659) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate.

Molecular Properties

Compound Name[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate
PubChem CID135023659
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate
SMILESCC(=O)O[C@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1
InChIInChI=1S/C17H15NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)21-16(18-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3/t15-,17+/m0/s1
InChIKeyUPMIECOWSZIWBZ-DOTOQJQBSA-N
XLogP3.09
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate?
The IUPAC name of [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate (CID 135023659) is [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate.
What is the SMILES notation for [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate?
The canonical SMILES for [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate is CC(=O)O[C@H]1N=C(c2ccccc2)O[C@H]1c1ccccc1.
What is the InChIKey of [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate?
The InChIKey is UPMIECOWSZIWBZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H15NO3/c1-12(19)20-17-15(13-8-4-2-5-9-13)21-16(18-17)14-10-6-3-7-11-14/h2-11,15,17H,1H3/t15-,17+/m0/s1.
What are the key properties of [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate?
[(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate has a molecular weight of 281.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl] acetate is sourced from PubChem (CID 135023659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).