(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one

C24H25N3O3 — CID 125025894

IUPAC(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1
InChIInChI=1S/C24H25N3O3/c1-3-21-24(17(2)26-30-21)20-11-7-10-19(25-20)22-16-27(14-15-29-22)23(28)13-12-18-8-5-4-6-9-18/h4-13,22H,3,14-16H2,1-2H3/b13-12+/t22-/m1/s1
InChIKeyZPUJJRRFKCENTK-CHHLAKQQSA-N
MW403.48 g/mol
LogP4.22
Rot. Bonds5

About (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one

(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one (PubChem CID 125025894) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
PubChem CID125025894
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1
InChIInChI=1S/C24H25N3O3/c1-3-21-24(17(2)26-30-21)20-11-7-10-19(25-20)22-16-27(14-15-29-22)23(28)13-12-18-8-5-4-6-9-18/h4-13,22H,3,14-16H2,1-2H3/b13-12+/t22-/m1/s1
InChIKeyZPUJJRRFKCENTK-CHHLAKQQSA-N
XLogP4.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 110135847
3-amino-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 125024807
2-ethyl-1-[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 124977127
2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
CID 124977128
cyclopentyl-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124961928
1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 125018833
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110135980
N-[2-[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110135949
[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124940575
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 110129715
[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
CID 124995778
(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]-4-methylsulfonylmorpholine
CID 125013111

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one (CID 125025894) is (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one is CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1.
What is the InChIKey of (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
The InChIKey is ZPUJJRRFKCENTK-CHHLAKQQSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-3-21-24(17(2)26-30-21)20-11-7-10-19(25-20)22-16-27(14-15-29-22)23(28)13-12-18-8-5-4-6-9-18/h4-13,22H,3,14-16H2,1-2H3/b13-12+/t22-/m1/s1.
What are the key properties of (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one?
(E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one has a molecular weight of 403.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 125025894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).