N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine

C12H22N2O2 — CID 103022695

IUPACN-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(CC(C)(C)OC)o1
InChIInChI=1S/C12H22N2O2/c1-5-13-7-6-11-14-9-10(16-11)8-12(2,3)15-4/h9,13H,5-8H2,1-4H3
InChIKeyFYCGOZBCYLITKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.79
Rot. Bonds7

About N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine

N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 103022695) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID103022695
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine
SMILESCCNCCc1ncc(CC(C)(C)OC)o1
InChIInChI=1S/C12H22N2O2/c1-5-13-7-6-11-14-9-10(16-11)8-12(2,3)15-4/h9,13H,5-8H2,1-4H3
InChIKeyFYCGOZBCYLITKB-UHFFFAOYSA-N
XLogP1.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 103022698
N-[3-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 103022713
2-[5-(ethoxymethyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183157
1-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 103022672
N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine
CID 65183100
2-methyl-N-[2-(5-propyl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 65182161
N-[2-[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65182761
N-[2-[5-(methoxymethyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 65182549
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
2-methyl-N-[2-[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182747
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
N-ethyl-3-[5-(methylsulfonylmethyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187355

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine (CID 103022695) is N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine is CCNCCc1ncc(CC(C)(C)OC)o1.
What is the InChIKey of N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is FYCGOZBCYLITKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-13-7-6-11-14-9-10(16-11)8-12(2,3)15-4/h9,13H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine?
N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 226.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[5-(2-methoxy-2-methylpropyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 103022695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).