(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine

C17H23N3O4 — CID 94017624

IUPAC(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(OCc2noc(CN3C[C@@H](C)O[C@H](C)C3)n2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-8-20(9-13(2)23-12)10-17-18-16(19-24-17)11-22-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyQBFBOCZUFBQKNV-CHWSQXEVSA-N
MW333.39 g/mol
LogP2.27
Rot. Bonds6

About (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 94017624) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
PubChem CID94017624
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine
SMILESCOc1ccc(OCc2noc(CN3C[C@@H](C)O[C@H](C)C3)n2)cc1
InChIInChI=1S/C17H23N3O4/c1-12-8-20(9-13(2)23-12)10-17-18-16(19-24-17)11-22-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyQBFBOCZUFBQKNV-CHWSQXEVSA-N
XLogP2.27
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2S,5R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,5-dimethylmorpholine
CID 94021559
5-[[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 45175492
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 17488526
[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 51051991
1-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 24664300
5-(azepan-1-ylmethyl)-3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 86916726
5-(2,3-dihydroindol-1-ylmethyl)-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 17446352
(2-chlorophenyl)-[4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24585821
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 24585756
5-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 42929567
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55637352
(3S,4R)-1-[[3-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120760770

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine (CID 94017624) is (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine is COc1ccc(OCc2noc(CN3C[C@@H](C)O[C@H](C)C3)n2)cc1.
What is the InChIKey of (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is QBFBOCZUFBQKNV-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12-8-20(9-13(2)23-12)10-17-18-16(19-24-17)11-22-15-6-4-14(21-3)5-7-15/h4-7,12-13H,8-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 333.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[[3-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 94017624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).