[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone

C23H24FN3O3 — CID 124995778

IUPAC[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n1
InChIInChI=1S/C23H24FN3O3/c1-4-20-22(15(3)26-30-20)19-7-5-6-18(25-19)21-13-27(10-11-29-21)23(28)16-9-8-14(2)17(24)12-16/h5-9,12,21H,4,10-11,13H2,1-3H3/t21-/m0/s1
InChIKeyQOMASMZDHUDBMI-NRFANRHFSA-N
MW409.46 g/mol
LogP4.27
Rot. Bonds4

About [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone

[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone (PubChem CID 124995778) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
PubChem CID124995778
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Name[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone
SMILESCCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n1
InChIInChI=1S/C23H24FN3O3/c1-4-20-22(15(3)26-30-20)19-7-5-6-18(25-19)21-13-27(10-11-29-21)23(28)16-9-8-14(2)17(24)12-16/h5-9,12,21H,4,10-11,13H2,1-3H3/t21-/m0/s1
InChIKeyQOMASMZDHUDBMI-NRFANRHFSA-N
XLogP4.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone 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
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(4-methylthiophen-2-yl)methanone
CID 110129715
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110135980
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
[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124940575
1-[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 125018833
(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
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-(2,6-difluorophenyl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124949019

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone (CID 124995778) is [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone is CCc1onc(C)c1-c1cccc([C@@H]2CN(C(=O)c3ccc(C)c(F)c3)CCO2)n1.
What is the InChIKey of [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is QOMASMZDHUDBMI-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-4-20-22(15(3)26-30-20)19-7-5-6-18(25-19)21-13-27(10-11-29-21)23(28)16-9-8-14(2)17(24)12-16/h5-9,12,21H,4,10-11,13H2,1-3H3/t21-/m0/s1.
What are the key properties of [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone?
[(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 409.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 124995778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).