(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

C15H23N5O3 — CID 95283706

IUPAC(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCOCCc1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1
InChIInChI=1S/C15H23N5O3/c1-12-7-16-20(8-12)10-13-9-19(4-6-22-13)11-15-17-14(18-23-15)3-5-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMGMNLQJNNIHCST-CYBMUJFWSA-N
MW321.38 g/mol
LogP0.66
Rot. Bonds7

About (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine

(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 95283706) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID95283706
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCOCCc1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1
InChIInChI=1S/C15H23N5O3/c1-12-7-16-20(8-12)10-13-9-19(4-6-22-13)11-15-17-14(18-23-15)3-5-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1
InChIKeyMGMNLQJNNIHCST-CYBMUJFWSA-N
XLogP0.66
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-methoxyethyl)-5-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95609671
3-(2-methoxyethyl)-5-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95333246
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 95283767
4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2-methyltetrazol-5-yl)morpholine
CID 163306571
3-(methoxymethyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 154738153
(2S)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95290733
N-[4-[[(2S)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95285121
2-[(2S)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-2-yl]ethanamine
CID 125436186
(3S,4R)-4-(hydroxymethyl)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-ol
CID 56884679
(2R)-4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95285694
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]morpholine
CID 95285530
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 95283706) is (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is COCCc1noc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)n1.
What is the InChIKey of (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is MGMNLQJNNIHCST-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-12-7-16-20(8-12)10-13-9-19(4-6-22-13)11-15-17-14(18-23-15)3-5-21-2/h7-8,13H,3-6,9-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
(2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 321.38 g/mol, XLogP of 0.66, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 95283706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).