(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one

C28H33N3O3 — CID 71658817

IUPAC(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one
SMILESCC[C@@]1(c2nc(Cc3ccccc3)c(N3CCCCC3)o2)N[C@@H](Cc2ccccc2)COC1=O
InChIInChI=1S/C28H33N3O3/c1-2-28(27(32)33-20-23(30-28)18-21-12-6-3-7-13-21)26-29-24(19-22-14-8-4-9-15-22)25(34-26)31-16-10-5-11-17-31/h3-4,6-9,12-15,23,30H,2,5,10-11,16-20H2,1H3/t23-,28-/m0/s1
InChIKeyPWZMCIPYGZKSCA-FIPFOOKPSA-N
MW459.59 g/mol
LogP4.62
Rot. Bonds7

About (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one

(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one (PubChem CID 71658817) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one.

Molecular Properties

Compound Name(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one
PubChem CID71658817
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC Name(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one
SMILESCC[C@@]1(c2nc(Cc3ccccc3)c(N3CCCCC3)o2)N[C@@H](Cc2ccccc2)COC1=O
InChIInChI=1S/C28H33N3O3/c1-2-28(27(32)33-20-23(30-28)18-21-12-6-3-7-13-21)26-29-24(19-22-14-8-4-9-15-22)25(34-26)31-16-10-5-11-17-31/h3-4,6-9,12-15,23,30H,2,5,10-11,16-20H2,1H3/t23-,28-/m0/s1
InChIKeyPWZMCIPYGZKSCA-FIPFOOKPSA-N
XLogP4.62
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one?
The IUPAC name of (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one (CID 71658817) is (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one.
What is the SMILES notation for (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one?
The canonical SMILES for (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one is CC[C@@]1(c2nc(Cc3ccccc3)c(N3CCCCC3)o2)N[C@@H](Cc2ccccc2)COC1=O.
What is the InChIKey of (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one?
The InChIKey is PWZMCIPYGZKSCA-FIPFOOKPSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-2-28(27(32)33-20-23(30-28)18-21-12-6-3-7-13-21)26-29-24(19-22-14-8-4-9-15-22)25(34-26)31-16-10-5-11-17-31/h3-4,6-9,12-15,23,30H,2,5,10-11,16-20H2,1H3/t23-,28-/m0/s1.
What are the key properties of (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one?
(3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one has a molecular weight of 459.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-benzyl-3-(4-benzyl-5-piperidin-1-yl-1,3-oxazol-2-yl)-3-ethylmorpholin-2-one is sourced from PubChem (CID 71658817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).