2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone

C18H21N3O6 — CID 97434480

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
SMILESCOCc1noc(C[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C18H21N3O6/c1-23-11-16-19-17(27-20-16)9-13-10-21(4-5-24-13)18(22)12-2-3-14-15(8-12)26-7-6-25-14/h2-3,8,13H,4-7,9-11H2,1H3/t13-/m1/s1
InChIKeyZQMZIVPAZVYVJN-CYBMUJFWSA-N
MW375.38 g/mol
LogP1.07
Rot. Bonds5

About 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone (PubChem CID 97434480) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
PubChem CID97434480
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
SMILESCOCc1noc(C[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1
InChIInChI=1S/C18H21N3O6/c1-23-11-16-19-17(27-20-16)9-13-10-21(4-5-24-13)18(22)12-2-3-14-15(8-12)26-7-6-25-14/h2-3,8,13H,4-7,9-11H2,1H3/t13-/m1/s1
InChIKeyZQMZIVPAZVYVJN-CYBMUJFWSA-N
XLogP1.07
TPSA96.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone with MolForge

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Related Compounds

1-[4-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carbonyl]thiophen-2-yl]ethanone
CID 97451805
[(2S)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 97148139
[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone
CID 56875485
1,3-benzodioxol-5-yl-(2-ethylmorpholin-4-yl)methanone
CID 43070650
1-[2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 74241951
1,3-benzodioxol-5-yl-(2-benzylmorpholin-4-yl)methanone
CID 110643907
1,3-benzodioxol-5-yl-[2-(bromomethyl)morpholin-4-yl]methanone
CID 81211800
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyrrolidine-3-carboxamide
CID 91923276
N-[[4-(1,3-benzodioxole-5-carbonyl)morpholin-2-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 46059631
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
1,3-benzodioxol-5-yl-[2-(4-methoxyphenyl)morpholin-4-yl]methanone
CID 110327211
1,3-benzodioxol-5-yl-[2-[[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 46059832

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone (CID 97434480) is 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone is COCc1noc(C[C@@H]2CN(C(=O)c3ccc4c(c3)OCCO4)CCO2)n1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?
The InChIKey is ZQMZIVPAZVYVJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-23-11-16-19-17(27-20-16)9-13-10-21(4-5-24-13)18(22)12-2-3-14-15(8-12)26-7-6-25-14/h2-3,8,13H,4-7,9-11H2,1H3/t13-/m1/s1.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone has a molecular weight of 375.38 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 97434480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).