2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine

C15H28N2O2 — CID 65181670

IUPAC2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CC(C)CC(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-12(9-15(2,3)4)8-13-10-17-14(19-13)11-16-6-7-18-5/h10,12,16H,6-9,11H2,1-5H3
InChIKeyRLXHCZIVHPQDTO-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.03
Rot. Bonds8

About 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine

2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65181670) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65181670
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCOCCNCc1ncc(CC(C)CC(C)(C)C)o1
InChIInChI=1S/C15H28N2O2/c1-12(9-15(2,3)4)8-13-10-17-14(19-13)11-16-6-7-18-5/h10,12,16H,6-9,11H2,1-5H3
InChIKeyRLXHCZIVHPQDTO-UHFFFAOYSA-N
XLogP3.03
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.03
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-methoxy-N-[[5-(2,2,2-trifluoroethyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65181973
N-ethyl-2-[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]ethanamine
CID 65183100
2-methoxy-N-[[5-(3-methoxybutyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 113382250
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-2-methoxyethanamine
CID 60765583
2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 65181879
N-[[5-(2,3,3-trimethylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183651
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103275226
2-methyl-N-[[5-(2-methylbutyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 114877256
2-[2-[(2S)-2,4,4-trimethylpentyl]-1,3-oxazol-5-yl]acetic acid
CID 125452466
2-methoxy-N-[[5-(2,2,3,3-tetramethylcyclopropyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 66478464
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 63891754
N-[[5-(3,5-dibromophenyl)-1,3-oxazol-2-yl]methyl]-2-methoxyethanamine
CID 107975815

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65181670) is 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine is COCCNCc1ncc(CC(C)CC(C)(C)C)o1.
What is the InChIKey of 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is RLXHCZIVHPQDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(9-15(2,3)4)8-13-10-17-14(19-13)11-16-6-7-18-5/h10,12,16H,6-9,11H2,1-5H3.
What are the key properties of 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 268.40 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(2,4,4-trimethylpentyl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65181670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).