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

C21H29N3O3 — CID 124977128

IUPAC2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C(CC)CC)CCO2)n1
InChIInChI=1S/C21H29N3O3/c1-5-15(6-2)21(25)24-11-12-26-19(13-24)16-9-8-10-17(22-16)20-14(4)23-27-18(20)7-3/h8-10,15,19H,5-7,11-13H2,1-4H3/t19-/m1/s1
InChIKeyLKEURRZVNMTQAT-LJQANCHMSA-N
MW371.48 g/mol
LogP3.94
Rot. Bonds6

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

2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one (PubChem CID 124977128) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
PubChem CID124977128
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one
SMILESCCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C(CC)CC)CCO2)n1
InChIInChI=1S/C21H29N3O3/c1-5-15(6-2)21(25)24-11-12-26-19(13-24)16-9-8-10-17(22-16)20-14(4)23-27-18(20)7-3/h8-10,15,19H,5-7,11-13H2,1-4H3/t19-/m1/s1
InChIKeyLKEURRZVNMTQAT-LJQANCHMSA-N
XLogP3.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

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-[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
cyclopentyl-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124961928
[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
1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 125018833
[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124940575
(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
[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 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one?
The IUPAC name of 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) is 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one is CCc1onc(C)c1-c1cccc([C@H]2CN(C(=O)C(CC)CC)CCO2)n1.
What is the InChIKey of 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one?
The InChIKey is LKEURRZVNMTQAT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-5-15(6-2)21(25)24-11-12-26-19(13-24)16-9-8-10-17(22-16)20-14(4)23-27-18(20)7-3/h8-10,15,19H,5-7,11-13H2,1-4H3/t19-/m1/s1.
What are the key properties of 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one?
2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one has a molecular weight of 371.48 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124977128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).