[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate

C22H19NO5 — CID 56663356

IUPAC[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C22H19NO5/c1-14(24)26-17-12-13-18(25)27-21(17)19-20(15-8-4-2-5-9-15)28-22(23-19)16-10-6-3-7-11-16/h2-13,17,19-21H,1H3/t17-,19-,20+,21-/m0/s1
InChIKeyJILWQKIRZCTRHN-WJMWBRGCSA-N
MW377.40 g/mol
LogP2.99
Rot. Bonds4

About [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate

[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate (PubChem CID 56663356) has the molecular formula C22H19NO5 and a molecular weight of 377.40 g/mol. Its IUPAC name is [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate.

Molecular Properties

Compound Name[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
PubChem CID56663356
Molecular FormulaC22H19NO5
Molecular Weight377.40 g/mol
Exact Mass377.13
IUPAC Name[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1
InChIInChI=1S/C22H19NO5/c1-14(24)26-17-12-13-18(25)27-21(17)19-20(15-8-4-2-5-9-15)28-22(23-19)16-10-6-3-7-11-16/h2-13,17,19-21H,1H3/t17-,19-,20+,21-/m0/s1
InChIKeyJILWQKIRZCTRHN-WJMWBRGCSA-N
XLogP2.99
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate?
The IUPAC name of [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate (CID 56663356) is [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate.
What is the SMILES notation for [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate?
The canonical SMILES for [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate is CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate?
The InChIKey is JILWQKIRZCTRHN-WJMWBRGCSA-N. The full InChI is InChI=1S/C22H19NO5/c1-14(24)26-17-12-13-18(25)27-21(17)19-20(15-8-4-2-5-9-15)28-22(23-19)16-10-6-3-7-11-16/h2-13,17,19-21H,1H3/t17-,19-,20+,21-/m0/s1.
What are the key properties of [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate?
[(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate has a molecular weight of 377.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-[(4S,5R)-2,5-diphenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate is sourced from PubChem (CID 56663356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).