N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

C15H23N3O4 — CID 56806430

IUPACN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCCOC(C)c1noc(CN(CCOC)Cc2ccco2)n1
InChIInChI=1S/C15H23N3O4/c1-4-20-12(2)15-16-14(22-17-15)11-18(7-9-19-3)10-13-6-5-8-21-13/h5-6,8,12H,4,7,9-11H2,1-3H3
InChIKeyNGWDAYMDIQZWJE-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.41
Rot. Bonds10

About N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (PubChem CID 56806430) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
PubChem CID56806430
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC NameN-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
SMILESCCOC(C)c1noc(CN(CCOC)Cc2ccco2)n1
InChIInChI=1S/C15H23N3O4/c1-4-20-12(2)15-16-14(22-17-15)11-18(7-9-19-3)10-13-6-5-8-21-13/h5-6,8,12H,4,7,9-11H2,1-3H3
InChIKeyNGWDAYMDIQZWJE-UHFFFAOYSA-N
XLogP2.41
TPSA73.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-N'-ethyl-N'-(furan-2-ylmethyl)propane-1,3-diamine
CID 63069854
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 134018549
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-amine
CID 64533639
3-[(1R)-1-ethoxyethyl]-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
CID 95770468
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
CID 52601883
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
N-(furan-2-ylmethyl)-2-methoxy-N-[(2-pyrimidin-5-ylpyrimidin-5-yl)methyl]ethanamine
CID 166276030
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 64538990
1-[5-(furan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115004180
2,6-dichloro-N-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 96523969
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine
CID 60509766
3-[[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]methyl]benzoic acid
CID 122029274

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The IUPAC name of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine (CID 56806430) is N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine.
What is the SMILES notation for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The canonical SMILES for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine is CCOC(C)c1noc(CN(CCOC)Cc2ccco2)n1.
What is the InChIKey of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
The InChIKey is NGWDAYMDIQZWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-4-20-12(2)15-16-14(22-17-15)11-18(7-9-19-3)10-13-6-5-8-21-13/h5-6,8,12H,4,7,9-11H2,1-3H3.
What are the key properties of N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine?
N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine has a molecular weight of 309.37 g/mol, XLogP of 2.41, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine is sourced from PubChem (CID 56806430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).