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

C14H16N4O3 — CID 125003170

IUPAC[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cccc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1
InChIInChI=1S/C14H16N4O3/c1-15-13-4-2-3-10(17-13)12-8-18(5-6-20-12)14(19)11-7-16-9-21-11/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySPSGMDWJNYGEEL-LBPRGKRZSA-N
MW288.31 g/mol
LogP1.33
Rot. Bonds3

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

[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 125003170) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID125003170
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCNc1cccc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1
InChIInChI=1S/C14H16N4O3/c1-15-13-4-2-3-10(17-13)12-8-18(5-6-20-12)14(19)11-7-16-9-21-11/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeySPSGMDWJNYGEEL-LBPRGKRZSA-N
XLogP1.33
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 124944788
1H-imidazol-5-yl-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125016046
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrrol-2-yl)methanone
CID 110112464
(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
[3-(methoxymethyl)phenyl]-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952972
(1-aminocyclopentyl)-[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124962525
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 125027257
[2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113366
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124986100
[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113989
1-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124979682

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (CID 125003170) is [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is CNc1cccc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1.
What is the InChIKey of [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is SPSGMDWJNYGEEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-15-13-4-2-3-10(17-13)12-8-18(5-6-20-12)14(19)11-7-16-9-21-11/h2-4,7,9,12H,5-6,8H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
[(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 288.31 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 125003170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).