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

C16H22N2O2 — CID 78961504

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-19-15-8-6-14(7-9-15)10-17-11(2)16-12(3)18-20-13(16)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyGNTZEBNFGHIMTQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.54
Rot. Bonds6

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 78961504) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
PubChem CID78961504
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
SMILESCCOc1ccc(CNC(C)c2c(C)noc2C)cc1
InChIInChI=1S/C16H22N2O2/c1-5-19-15-8-6-14(7-9-15)10-17-11(2)16-12(3)18-20-13(16)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyGNTZEBNFGHIMTQ-UHFFFAOYSA-N
XLogP3.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
N-[4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 78961627
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733
1-(2,6-difluorophenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 60945185
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 102911382
(1S)-N-[(4-ethoxyphenyl)methyl]-1-phenylethanamine
CID 927372
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 79236645
1-(2,5-dimethylphenyl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 43221696
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
CID 79230833
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 79237242
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
N-[(4-ethoxyphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43702990

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine (CID 78961504) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine is CCOc1ccc(CNC(C)c2c(C)noc2C)cc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is GNTZEBNFGHIMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-19-15-8-6-14(7-9-15)10-17-11(2)16-12(3)18-20-13(16)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 78961504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).