N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

C16H22N2O2 — CID 65288493

IUPACN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1-c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C16H22N2O2/c1-5-19-14-9-7-6-8-13(14)15-18-12(11-20-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyMOQHJSOKCZCJNL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.63
Rot. Bonds5

About N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65288493) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65288493
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCOc1ccccc1-c1nc(CNC(C)(C)C)co1
InChIInChI=1S/C16H22N2O2/c1-5-19-14-9-7-6-8-13(14)15-18-12(11-20-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyMOQHJSOKCZCJNL-UHFFFAOYSA-N
XLogP3.63
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753
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
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-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 115279651
4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(2-ethoxyphenyl)-1,3-oxazole
CID 56672883
N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288045
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 102885630
N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 60682858

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine (CID 65288493) is N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is CCOc1ccccc1-c1nc(CNC(C)(C)C)co1.
What is the InChIKey of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MOQHJSOKCZCJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-5-19-14-9-7-6-8-13(14)15-18-12(11-20-15)10-17-16(2,3)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 274.36 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65288493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).