N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine

C17H18N2O3 — CID 56662243

IUPACN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2coc(-c3ccco3)n2)c1
InChIInChI=1S/C17H18N2O3/c1-20-15-5-2-4-13(10-15)7-8-18-11-14-12-22-17(19-14)16-6-3-9-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3
InChIKeyVPGKDGWERJVCTP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.28
Rot. Bonds7

About N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine

N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 56662243) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
PubChem CID56662243
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(CCNCc2coc(-c3ccco3)n2)c1
InChIInChI=1S/C17H18N2O3/c1-20-15-5-2-4-13(10-15)7-8-18-11-14-12-22-17(19-14)16-6-3-9-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3
InChIKeyVPGKDGWERJVCTP-UHFFFAOYSA-N
XLogP3.28
TPSA60.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine (CID 56662243) is N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(CCNCc2coc(-c3ccco3)n2)c1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is VPGKDGWERJVCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-20-15-5-2-4-13(10-15)7-8-18-11-14-12-22-17(19-14)16-6-3-9-21-16/h2-6,9-10,12,18H,7-8,11H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine?
N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 298.34 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 56662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).