1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

C13H16N2O2 — CID 65288753

IUPAC1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccccc1-c1nc(CNC)co1
InChIInChI=1S/C13H16N2O2/c1-3-16-12-7-5-4-6-11(12)13-15-10(8-14-2)9-17-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyHSCKGZNPDBGKIM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds5

About 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine

1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (PubChem CID 65288753) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
PubChem CID65288753
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
SMILESCCOc1ccccc1-c1nc(CNC)co1
InChIInChI=1S/C13H16N2O2/c1-3-16-12-7-5-4-6-11(12)13-15-10(8-14-2)9-17-13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyHSCKGZNPDBGKIM-UHFFFAOYSA-N
XLogP2.46
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65288493
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 65288161
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 56675836
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylaniline
CID 56661731
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56672883
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56672763
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 56658620
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823
N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288045
4-[[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56669262
1-[2-(2-chlorofuran-3-yl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 106690445
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine (CID 65288753) is 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is CCOc1ccccc1-c1nc(CNC)co1.
What is the InChIKey of 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
The InChIKey is HSCKGZNPDBGKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-16-12-7-5-4-6-11(12)13-15-10(8-14-2)9-17-13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine?
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine has a molecular weight of 232.28 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65288753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).