N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C18H22N2O2 — CID 56658620

IUPACN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C18H22N2O2/c1-4-11-20(12-5-2)13-15-14-22-18(19-15)16-9-7-8-10-17(16)21-6-3/h4-5,7-10,14H,1-2,6,11-13H2,3H3
InChIKeyFTLXLNKLNLKLFH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.91
Rot. Bonds9

About N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 56658620) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID56658620
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1coc(-c2ccccc2OCC)n1
InChIInChI=1S/C18H22N2O2/c1-4-11-20(12-5-2)13-15-14-22-18(19-15)16-9-7-8-10-17(16)21-6-3/h4-5,7-10,14H,1-2,6,11-13H2,3H3
InChIKeyFTLXLNKLNLKLFH-UHFFFAOYSA-N
XLogP3.91
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylaniline
CID 56661731
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56672763
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753
N-methyl-N-[(2-naphthalen-1-yl-1,3-oxazol-4-yl)methyl]prop-2-en-1-amine
CID 56666027
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56672883
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56675836
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56669262
2-(2-ethoxyphenyl)-5-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33301306

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 56658620) is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1coc(-c2ccccc2OCC)n1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is FTLXLNKLNLKLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-11-20(12-5-2)13-15-14-22-18(19-15)16-9-7-8-10-17(16)21-6-3/h4-5,7-10,14H,1-2,6,11-13H2,3H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 298.39 g/mol, XLogP of 3.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 56658620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).