N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine

C14H26N2O2 — CID 62456814

IUPACN-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCCC(C)OCc1cc(CNC)no1
InChIInChI=1S/C14H26N2O2/c1-4-5-6-7-8-12(2)17-11-14-9-13(10-15-3)16-18-14/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeySXCAZBGZLQPJKI-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.27
Rot. Bonds10

About N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine

N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (PubChem CID 62456814) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
PubChem CID62456814
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine
SMILESCCCCCCC(C)OCc1cc(CNC)no1
InChIInChI=1S/C14H26N2O2/c1-4-5-6-7-8-12(2)17-11-14-9-13(10-15-3)16-18-14/h9,12,15H,4-8,10-11H2,1-3H3
InChIKeySXCAZBGZLQPJKI-UHFFFAOYSA-N
XLogP3.27
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.27
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-(octoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455149
N-butan-2-yl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]butan-1-amine
CID 62411588
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]heptan-2-amine
CID 115723271
1-[4-methoxy-3-(octan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 62019677
1-[5-[(2-butan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62458220
2-methyl-N-[[5-(propan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62455406
N-[[5-methyl-4-(octan-2-yloxymethyl)furan-2-yl]methyl]propan-2-amine
CID 63492477
1-[5-(3,3-dimethylbutoxymethyl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 66226402
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-methyl-3-octan-2-ylguanidine;hydroiodide
CID 111782437
N-[[5-(1-phenylethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62443630
N-methyl-1-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 62454563
N-[[5-(ethoxymethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62444489

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine (CID 62456814) is N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is CCCCCCC(C)OCc1cc(CNC)no1.
What is the InChIKey of N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
The InChIKey is SXCAZBGZLQPJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-5-6-7-8-12(2)17-11-14-9-13(10-15-3)16-18-14/h9,12,15H,4-8,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine?
N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 3.27, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(octan-2-yloxymethyl)-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62456814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).