[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone

C16H20N4O3 — CID 110113989

IUPAC[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cc(CCC2CN(C(=O)c3cnco3)CCO2)ccn1
InChIInChI=1S/C16H20N4O3/c1-17-15-8-12(4-5-19-15)2-3-13-10-20(6-7-22-13)16(21)14-9-18-11-23-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,17,19)
InChIKeyKXUQVOHEWSEHFO-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.59
Rot. Bonds5

About [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone

[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 110113989) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID110113989
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cc(CCC2CN(C(=O)c3cnco3)CCO2)ccn1
InChIInChI=1S/C16H20N4O3/c1-17-15-8-12(4-5-19-15)2-3-13-10-20(6-7-22-13)16(21)14-9-18-11-23-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,17,19)
InChIKeyKXUQVOHEWSEHFO-UHFFFAOYSA-N
XLogP1.59
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone with MolForge

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Related Compounds

[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
N-methyl-4-[2-(4-pyrimidin-2-ylmorpholin-2-yl)ethyl]pyridin-2-amine
CID 110094509
N-methyl-4-[2-[4-[(2-methylpyrimidin-5-yl)methyl]morpholin-2-yl]ethyl]pyridin-2-amine
CID 110113986
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125003170
[(2R)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125009167
4-[[(2S)-2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]methyl]oxan-4-ol
CID 125013514
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110113951
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 125027294
[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 110114030
[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124965509
[(2S)-2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 125002202

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (CID 110113989) is [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is CNc1cc(CCC2CN(C(=O)c3cnco3)CCO2)ccn1.
What is the InChIKey of [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is KXUQVOHEWSEHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-17-15-8-12(4-5-19-15)2-3-13-10-20(6-7-22-13)16(21)14-9-18-11-23-14/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,17,19).
What are the key properties of [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 110113989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).