N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

C14H18N2O2 — CID 79140406

IUPACN-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccccc1OCC
InChIInChI=1S/C14H18N2O2/c1-3-15-9-12-14(18-10-16-12)11-7-5-6-8-13(11)17-4-2/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyQCKMATAJVZSBBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.85
Rot. Bonds6

About N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine

N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 79140406) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID79140406
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1ncoc1-c1ccccc1OCC
InChIInChI=1S/C14H18N2O2/c1-3-15-9-12-14(18-10-16-12)11-7-5-6-8-13(11)17-4-2/h5-8,10,15H,3-4,9H2,1-2H3
InChIKeyQCKMATAJVZSBBT-UHFFFAOYSA-N
XLogP2.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine 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

N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79144744
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79145568
N-[[5-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79146027
N-[[5-(2-ethoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106887098
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
N-[[5-(2,3-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 79146136
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
2-methyl-N-[[5-(2-methylsulfanylphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 79212909
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine (CID 79140406) is N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1ncoc1-c1ccccc1OCC.
What is the InChIKey of N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is QCKMATAJVZSBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-9-12-14(18-10-16-12)11-7-5-6-8-13(11)17-4-2/h5-8,10,15H,3-4,9H2,1-2H3.
What are the key properties of N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79140406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).