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

C16H22N2O2 — CID 79236645

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-11(16-12(2)18-20-13(16)3)17-9-14-7-5-6-8-15(14)10-19-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyKTNYCYRPLUXYRI-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.29
Rot. Bonds6

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

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (PubChem CID 79236645) 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-[[2-(methoxymethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
PubChem CID79236645
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
SMILESCOCc1ccccc1CNC(C)c1c(C)noc1C
InChIInChI=1S/C16H22N2O2/c1-11(16-12(2)18-20-13(16)3)17-9-14-7-5-6-8-15(14)10-19-4/h5-8,11,17H,9-10H2,1-4H3
InChIKeyKTNYCYRPLUXYRI-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-6-methylphenol
CID 112554882
2-[2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 79231338
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-methylphenol
CID 78961384
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-4-fluorophenol
CID 103948779
N-(1,3-benzothiazol-2-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79242623
1-(5-bromofuran-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 104652747
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
N-[[2-(methoxymethyl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115878963
4-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]benzonitrile
CID 78961485
N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 78961733

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine (CID 79236645) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine is COCc1ccccc1CNC(C)c1c(C)noc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
The InChIKey is KTNYCYRPLUXYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(16-12(2)18-20-13(16)3)17-9-14-7-5-6-8-15(14)10-19-4/h5-8,11,17H,9-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 3.29, 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-[[2-(methoxymethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79236645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).