2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine

C14H19N3O4 — CID 63057307

IUPAC2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)c(OCc2ncon2)c1
InChIInChI=1S/C14H19N3O4/c1-18-6-5-15-8-11-3-4-12(19-2)13(7-11)20-9-14-16-10-21-17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyXABAYUBHYYWCJR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.39
Rot. Bonds9

About 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine

2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine (PubChem CID 63057307) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
PubChem CID63057307
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(OC)c(OCc2ncon2)c1
InChIInChI=1S/C14H19N3O4/c1-18-6-5-15-8-11-3-4-12(19-2)13(7-11)20-9-14-16-10-21-17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyXABAYUBHYYWCJR-UHFFFAOYSA-N
XLogP1.39
TPSA78.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[[4-methoxy-3-(methoxymethoxy)phenyl]methyl]ethanamine
CID 65364721
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183468
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392778
2-methoxy-N-[[4-methoxy-3-(3-methylbut-2-enoxy)phenyl]methyl]ethanamine
CID 63057303
N-[[4-nitro-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62115342
N-[[3-(2-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 55147209
3-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63057144
2-methoxy-N-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)phenyl]methyl]ethanamine
CID 63056243
N-[[3-chloro-5-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60879114
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613
N-[[3-(cyclopentylmethoxy)-4-methoxyphenyl]methyl]-2-methoxyethanamine
CID 63057311
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine (CID 63057307) is 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine is COCCNCc1ccc(OC)c(OCc2ncon2)c1.
What is the InChIKey of 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
The InChIKey is XABAYUBHYYWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-18-6-5-15-8-11-3-4-12(19-2)13(7-11)20-9-14-16-10-21-17-14/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine?
2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine has a molecular weight of 293.32 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63057307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).