[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone

C21H22N4O4 — CID 110135453

IUPAC[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCOC(c2cccc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C21H22N4O4/c1-13-19(14(2)29-24-13)17-8-4-7-16(23-17)18-12-25(10-11-28-18)21(26)15-6-5-9-22-20(15)27-3/h4-9,18H,10-12H2,1-3H3
InChIKeyCXGPQKOAAHCCQN-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.97
Rot. Bonds4

About [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone

[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 110135453) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID110135453
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCOC(c2cccc(-c3c(C)noc3C)n2)C1
InChIInChI=1S/C21H22N4O4/c1-13-19(14(2)29-24-13)17-8-4-7-16(23-17)18-12-25(10-11-28-18)21(26)15-6-5-9-22-20(15)27-3/h4-9,18H,10-12H2,1-3H3
InChIKeyCXGPQKOAAHCCQN-UHFFFAOYSA-N
XLogP2.97
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 110135362
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 110129408
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 110135425
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[(2S)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-quinolin-8-ylmethanone
CID 125005581
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 110135847
(2-methoxy-3-pyridinyl)-[(2R)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472499
[2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110135980
[(2R)-2-[6-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124940575
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222
2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-N,N-dimethylmorpholine-4-sulfonamide
CID 110093067
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

Frequently Asked Questions

What is the IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone (CID 110135453) is [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCOC(c2cccc(-c3c(C)noc3C)n2)C1.
What is the InChIKey of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is CXGPQKOAAHCCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-13-19(14(2)29-24-13)17-8-4-7-16(23-17)18-12-25(10-11-28-18)21(26)15-6-5-9-22-20(15)27-3/h4-9,18H,10-12H2,1-3H3.
What are the key properties of [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone?
[2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 394.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]morpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 110135453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).