2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone

C16H21N5O3 — CID 124970120

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1cc(CC[C@@H]2CN(C(=O)Cc3nonc3C)CCO2)ncn1
InChIInChI=1S/C16H21N5O3/c1-11-7-13(18-10-17-11)3-4-14-9-21(5-6-23-14)16(22)8-15-12(2)19-24-20-15/h7,10,14H,3-6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyJNNQPZYPCOGJFH-CQSZACIVSA-N
MW331.38 g/mol
LogP0.88
Rot. Bonds5

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone

2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone (PubChem CID 124970120) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
PubChem CID124970120
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
SMILESCc1cc(CC[C@@H]2CN(C(=O)Cc3nonc3C)CCO2)ncn1
InChIInChI=1S/C16H21N5O3/c1-11-7-13(18-10-17-11)3-4-14-9-21(5-6-23-14)16(22)8-15-12(2)19-24-20-15/h7,10,14H,3-6,8-9H2,1-2H3/t14-/m1/s1
InChIKeyJNNQPZYPCOGJFH-CQSZACIVSA-N
XLogP0.88
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 110116517
2-(2-methylphenyl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone
CID 124969498
1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 110116480
1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-2-thiophen-2-ylethanone
CID 124995572
3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
CID 124948479
2-methyl-1-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]prop-2-en-1-one
CID 175656276
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 110116516
1-[2-[2-[2-(dimethylamino)-4-pyridinyl]ethyl]morpholin-4-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 110119302
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-pyridazin-4-ylmethanone
CID 124996201
[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 124966440
[4-(methoxymethyl)phenyl]-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone
CID 125002887
(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone (CID 124970120) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone is Cc1cc(CC[C@@H]2CN(C(=O)Cc3nonc3C)CCO2)ncn1.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
The InChIKey is JNNQPZYPCOGJFH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-11-7-13(18-10-17-11)3-4-14-9-21(5-6-23-14)16(22)8-15-12(2)19-24-20-15/h7,10,14H,3-6,8-9H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone has a molecular weight of 331.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(2R)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 124970120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).