N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine

C14H24N2O2 — CID 55077039

IUPACN-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCCCCC2)on1
InChIInChI=1S/C14H24N2O2/c1-2-15-10-12-9-14(18-16-12)11-17-13-7-5-3-4-6-8-13/h9,13,15H,2-8,10-11H2,1H3
InChIKeyUPSBLXPCEWMBKK-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.02
Rot. Bonds6

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

N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 55077039) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID55077039
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCCCCC2)on1
InChIInChI=1S/C14H24N2O2/c1-2-15-10-12-9-14(18-16-12)11-17-13-7-5-3-4-6-8-13/h9,13,15H,2-8,10-11H2,1H3
InChIKeyUPSBLXPCEWMBKK-UHFFFAOYSA-N
XLogP3.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 64740326
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 102723198
N-[[5-(furan-2-ylmethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444852
N-[[5-[(4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62453644
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
3-bromo-5-(cyclobutyloxymethyl)-1,2-oxazole
CID 130891488
N-[[5-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62486332

Frequently Asked Questions

What is the IUPAC name of N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine (CID 55077039) is N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COC2CCCCCC2)on1.
What is the InChIKey of N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is UPSBLXPCEWMBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-15-10-12-9-14(18-16-12)11-17-13-7-5-3-4-6-8-13/h9,13,15H,2-8,10-11H2,1H3.
What are the key properties of N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 55077039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).