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

C15H20N2O3 — CID 103913154

IUPAC1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncc(C)o2)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-10-8-17-15(20-10)9-16-11(2)13-6-5-12(18-3)7-14(13)19-4/h5-8,11,16H,9H2,1-4H3
InChIKeyOHOJFLNAVUTBPJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.85
Rot. Bonds6

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

1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 103913154) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID103913154
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C(C)NCc2ncc(C)o2)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-10-8-17-15(20-10)9-16-11(2)13-6-5-12(18-3)7-14(13)19-4/h5-8,11,16H,9H2,1-4H3
InChIKeyOHOJFLNAVUTBPJ-UHFFFAOYSA-N
XLogP2.85
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
1-(2,4-dimethoxyphenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913157
1-(2-ethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913115
1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 75483118
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 97353561
4-[1-(2,4-dimethoxyphenyl)ethylamino]butan-2-ol
CID 64910690
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106370665
1-(5-bromo-2-fluorophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 106370032
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 103913154) is 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is COc1ccc(C(C)NCc2ncc(C)o2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is OHOJFLNAVUTBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-8-17-15(20-10)9-16-11(2)13-6-5-12(18-3)7-14(13)19-4/h5-8,11,16H,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 103913154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).