N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

C15H21N3O3 — CID 63063586

IUPACN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCCc1nc(COc2ccc(CNCCOC)cc2)no1
InChIInChI=1S/C15H21N3O3/c1-3-15-17-14(18-21-15)11-20-13-6-4-12(5-7-13)10-16-8-9-19-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyMDXJKFVNVFYEDG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.95
Rot. Bonds9

About N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (PubChem CID 63063586) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
PubChem CID63063586
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
SMILESCCc1nc(COc2ccc(CNCCOC)cc2)no1
InChIInChI=1S/C15H21N3O3/c1-3-15-17-14(18-21-15)11-20-13-6-4-12(5-7-13)10-16-8-9-19-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyMDXJKFVNVFYEDG-UHFFFAOYSA-N
XLogP1.95
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63063220
N-[[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495179
2-methoxy-N-[[4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 63063411
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methyl]propan-1-amine
CID 107687320
N-[[3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]-2-methoxyethanamine
CID 120893530
2-methoxy-N-[[4-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55146437
N-[(4-butoxyphenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648036
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3,5-dimethylphenyl]methyl]ethanamine
CID 61497109
N-[[5-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783462
N-[[3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61495422

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine (CID 63063586) is N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is CCc1nc(COc2ccc(CNCCOC)cc2)no1.
What is the InChIKey of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
The InChIKey is MDXJKFVNVFYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-15-17-14(18-21-15)11-20-13-6-4-12(5-7-13)10-16-8-9-19-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine?
N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine has a molecular weight of 291.35 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63063586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).