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

C15H26N2O2 — CID 64740326

IUPACN-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCC(C)C(C)C2)on1
InChIInChI=1S/C15H26N2O2/c1-4-16-9-13-8-15(19-17-13)10-18-14-6-5-11(2)12(3)7-14/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyUFJGUHZKPIGAJQ-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.13
Rot. Bonds6

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

N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 64740326) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID64740326
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC NameN-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCC(C)C(C)C2)on1
InChIInChI=1S/C15H26N2O2/c1-4-16-9-13-8-15(19-17-13)10-18-14-6-5-11(2)12(3)7-14/h8,11-12,14,16H,4-7,9-10H2,1-3H3
InChIKeyUFJGUHZKPIGAJQ-UHFFFAOYSA-N
XLogP3.13
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3-methylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62456466
N-[[5-(cycloheptyloxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 55077039
N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62455470
N-[[5-(2-ethoxyethoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62444889
N-[[5-(propoxymethyl)-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452245
N-[[5-[(3,5-difluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62783622
N-[[5-[(3-ethoxyphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62443165
N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine
CID 113378067
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 64739134
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 64740326) is N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(COC2CCC(C)C(C)C2)on1.
What is the InChIKey of N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is UFJGUHZKPIGAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-16-9-13-8-15(19-17-13)10-18-14-6-5-11(2)12(3)7-14/h8,11-12,14,16H,4-7,9-10H2,1-3H3.
What are the key properties of N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 266.38 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 64740326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).