4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine

C20H23N3O3 — CID 56880097

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
SMILESCCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1
InChIInChI=1S/C20H23N3O3/c1-3-20-21-19(22-26-20)13-23-8-9-25-18(12-23)16-5-4-15-11-17(24-2)7-6-14(15)10-16/h4-7,10-11,18H,3,8-9,12-13H2,1-2H3
InChIKeyGXPFDIRRLGALSW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.37
Rot. Bonds5

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine (PubChem CID 56880097) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
PubChem CID56880097
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
SMILESCCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1
InChIInChI=1S/C20H23N3O3/c1-3-20-21-19(22-26-20)13-23-8-9-25-18(12-23)16-5-4-15-11-17(24-2)7-6-14(15)10-16/h4-7,10-11,18H,3,8-9,12-13H2,1-2H3
InChIKeyGXPFDIRRLGALSW-UHFFFAOYSA-N
XLogP3.37
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 56877898
2-(6-methoxynaphthalen-2-yl)-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
CID 56918123
5-[[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 95562733
(2S)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553263
(2R)-4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
CID 95553262
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477
4-[[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 56876335
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751685
(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
(2R)-2-(6-methoxynaphthalen-2-yl)-4-[[3-(2-methylpropyl)imidazol-4-yl]methyl]morpholine
CID 95543076
5-methoxy-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-1H-pyridin-4-one
CID 95402328

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine (CID 56880097) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine is CCc1nc(CN2CCOC(c3ccc4cc(OC)ccc4c3)C2)no1.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine?
The InChIKey is GXPFDIRRLGALSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-20-21-19(22-26-20)13-23-8-9-25-18(12-23)16-5-4-15-11-17(24-2)7-6-14(15)10-16/h4-7,10-11,18H,3,8-9,12-13H2,1-2H3.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine has a molecular weight of 353.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine is sourced from PubChem (CID 56880097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).