4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine

C15H19N3O4 — CID 1259383

IUPAC4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOc1ccc(-c2noc(CN3CCOCC3)n2)cc1OC
InChIInChI=1S/C15H19N3O4/c1-19-12-4-3-11(9-13(12)20-2)15-16-14(22-17-15)10-18-5-7-21-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPFDNTFRMGJOCOX-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.59
Rot. Bonds5

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

4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 1259383) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID1259383
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESCOc1ccc(-c2noc(CN3CCOCC3)n2)cc1OC
InChIInChI=1S/C15H19N3O4/c1-19-12-4-3-11(9-13(12)20-2)15-16-14(22-17-15)10-18-5-7-21-8-6-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyPFDNTFRMGJOCOX-UHFFFAOYSA-N
XLogP1.59
TPSA69.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Methyl-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 2731143
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 4912763
4-[3-(3-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylbutan-1-one
CID 1832159
3-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 2020010
N-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 16188622
1-(2-Methoxybenzyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
CID 16189001
methyl 1-{[3-(3,4-dimethoxybenzyl)-1,2,4-oxadiazol-5-yl]methyl}-L-prolinate
CID 16189819
2-(4-ethylphenoxy)-N-isopropyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 2992442
Cyclobutyl-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4235504
2-(4-methylphenoxy)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)acetamide
CID 16475480
(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
3-(3-Cyclopentyloxy-4-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 45273252

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 1259383) is 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is COc1ccc(-c2noc(CN3CCOCC3)n2)cc1OC.
What is the InChIKey of 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is PFDNTFRMGJOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-19-12-4-3-11(9-13(12)20-2)15-16-14(22-17-15)10-18-5-7-21-8-6-18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine?
4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 305.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 1259383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).