2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

C12H22N2O2 — CID 62449512

IUPAC2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCCOCc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C12H22N2O2/c1-5-6-15-9-11-7-10(14-16-11)8-13-12(2,3)4/h7,13H,5-6,8-9H2,1-4H3
InChIKeyLOYYXZAAUGSPGM-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.49
Rot. Bonds6

About 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine

2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 62449512) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID62449512
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCCCOCc1cc(CNC(C)(C)C)no1
InChIInChI=1S/C12H22N2O2/c1-5-6-15-9-11-7-10(14-16-11)8-13-12(2,3)4/h7,13H,5-6,8-9H2,1-4H3
InChIKeyLOYYXZAAUGSPGM-UHFFFAOYSA-N
XLogP2.49
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.49
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

2-methyl-N-[[5-(3,3,3-trifluoropropoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 82957332
2-methyl-N-[[5-(2-propan-2-yloxyethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62458050
N-[[5-[3-(dimethylamino)propoxymethyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62460604
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-[(4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459576
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 81067481
2-methyl-N-[[5-[(1-propylpyrazol-4-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 116803459
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
N-[[5-(pentoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 55077772
2-methyl-N-[[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62443200
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 62449512) is 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is CCCOCc1cc(CNC(C)(C)C)no1.
What is the InChIKey of 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is LOYYXZAAUGSPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-5-6-15-9-11-7-10(14-16-11)8-13-12(2,3)4/h7,13H,5-6,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine?
2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62449512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).