(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one

C22H20N2O3 — CID 57382500

IUPAC(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)noc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H20N2O3/c25-20(24-13-15-26-16-14-24)12-11-19-21(17-7-3-1-4-8-17)23-27-22(19)18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11+
InChIKeyAMGVEDHMBVXKKU-VAWYXSNFSA-N
MW360.41 g/mol
LogP3.88
Rot. Bonds4

About (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 57382500) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID57382500
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1c(-c2ccccc2)noc1-c1ccccc1)N1CCOCC1
InChIInChI=1S/C22H20N2O3/c25-20(24-13-15-26-16-14-24)12-11-19-21(17-7-3-1-4-8-17)23-27-22(19)18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11+
InChIKeyAMGVEDHMBVXKKU-VAWYXSNFSA-N
XLogP3.88
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one (CID 57382500) is (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one is O=C(/C=C/c1c(-c2ccccc2)noc1-c1ccccc1)N1CCOCC1.
What is the InChIKey of (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is AMGVEDHMBVXKKU-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-20(24-13-15-26-16-14-24)12-11-19-21(17-7-3-1-4-8-17)23-27-22(19)18-9-5-2-6-10-18/h1-12H,13-16H2/b12-11+.
What are the key properties of (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 360.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-diphenyl-1,2-oxazol-4-yl)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 57382500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).