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

C15H20N2O2 — CID 103913115

IUPAC1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1ncc(C)o1
InChIInChI=1S/C15H20N2O2/c1-4-18-14-8-6-5-7-13(14)12(3)16-10-15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyMLLNVMLQLSZYPQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.23
Rot. Bonds6

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

1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 103913115) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID103913115
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCCOc1ccccc1C(C)NCc1ncc(C)o1
InChIInChI=1S/C15H20N2O2/c1-4-18-14-8-6-5-7-13(14)12(3)16-10-15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3
InChIKeyMLLNVMLQLSZYPQ-UHFFFAOYSA-N
XLogP3.23
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
1-(2-ethoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 103913111
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 79237158
1-(2-chlorophenyl)-1-(2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 122145179
1-(2-ethoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)ethanamine
CID 103913113
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392807
1-(2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 114180016
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-pyridin-3-ylethanamine
CID 103917075
ethyl 2-[1-(2-ethoxyphenyl)ethylamino]acetate
CID 60812252
4-[[1-(2-ethoxyphenyl)ethylamino]methyl]phenol
CID 115715689

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 103913115) is 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is CCOc1ccccc1C(C)NCc1ncc(C)o1.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is MLLNVMLQLSZYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-18-14-8-6-5-7-13(14)12(3)16-10-15-17-9-11(2)19-15/h5-9,12,16H,4,10H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103913115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).