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

C15H18N4O3 — CID 124966440

IUPAC[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ncn1
InChIInChI=1S/C15H18N4O3/c1-11-6-12(18-9-17-11)2-3-13-8-19(4-5-21-13)15(20)14-7-16-10-22-14/h6-7,9-10,13H,2-5,8H2,1H3/t13-/m0/s1
InChIKeyILXLWHOPEDOGNV-ZDUSSCGKSA-N
MW302.33 g/mol
LogP1.25
Rot. Bonds4

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

[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (PubChem CID 124966440) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
PubChem CID124966440
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
SMILESCc1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ncn1
InChIInChI=1S/C15H18N4O3/c1-11-6-12(18-9-17-11)2-3-13-8-19(4-5-21-13)15(20)14-7-16-10-22-14/h6-7,9-10,13H,2-5,8H2,1H3/t13-/m0/s1
InChIKeyILXLWHOPEDOGNV-ZDUSSCGKSA-N
XLogP1.25
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 125019079
(2,5-difluorophenyl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124960361
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 110116516
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
[2-[2-[2-(methylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110113989
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 124993832
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124970120
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The IUPAC name of [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone (CID 124966440) is [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is Cc1cc(CC[C@H]2CN(C(=O)c3cnco3)CCO2)ncn1.
What is the InChIKey of [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
The InChIKey is ILXLWHOPEDOGNV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-11-6-12(18-9-17-11)2-3-13-8-19(4-5-21-13)15(20)14-7-16-10-22-14/h6-7,9-10,13H,2-5,8H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone?
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone has a molecular weight of 302.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 124966440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).