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

C17H24N2O2 — CID 56665279

IUPACN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1coc(-c2cccc(OCC)c2)n1
InChIInChI=1S/C17H24N2O2/c1-4-10-19(5-2)12-15-13-21-17(18-15)14-8-7-9-16(11-14)20-6-3/h7-9,11,13H,4-6,10,12H2,1-3H3
InChIKeyRXSUQZANQXHVJU-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.97
Rot. Bonds8

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

N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine (PubChem CID 56665279) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
PubChem CID56665279
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1coc(-c2cccc(OCC)c2)n1
InChIInChI=1S/C17H24N2O2/c1-4-10-19(5-2)12-15-13-21-17(18-15)14-8-7-9-16(11-14)20-6-3/h7-9,11,13H,4-6,10,12H2,1-3H3
InChIKeyRXSUQZANQXHVJU-UHFFFAOYSA-N
XLogP3.97
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine (CID 56665279) is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine is CCCN(CC)Cc1coc(-c2cccc(OCC)c2)n1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine?
The InChIKey is RXSUQZANQXHVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-19(5-2)12-15-13-21-17(18-15)14-8-7-9-16(11-14)20-6-3/h7-9,11,13H,4-6,10,12H2,1-3H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine?
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 56665279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).