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

C14H24N2O2 — CID 113378067

IUPACN-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H24N2O2/c1-4-15-8-12-9-17-14(16-12)18-13-6-5-10(2)11(3)7-13/h9-11,13,15H,4-8H2,1-3H3
InChIKeyNPMXEDZFIPWTGP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.99
Rot. Bonds5

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

N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 113378067) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID113378067
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCNCc1coc(OC2CCC(C)C(C)C2)n1
InChIInChI=1S/C14H24N2O2/c1-4-15-8-12-9-17-14(16-12)18-13-6-5-10(2)11(3)7-13/h9-11,13,15H,4-8H2,1-3H3
InChIKeyNPMXEDZFIPWTGP-UHFFFAOYSA-N
XLogP2.99
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(3,4-dimethylcyclohexyl)oxymethyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 64740326
N-[[3-bromo-4-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64737947
N-[[2-chloro-6-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 114319168
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
N-[[2-(3,4-dimethylcyclohexyl)oxy-3-methylphenyl]methyl]ethanamine
CID 115952581
N-[[5-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 79781294
N-[[3-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739556
N-[[2-(3-methoxypyrrolidin-1-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 103539392
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
N-[[6-(3,4-dimethylcyclohexyl)oxypyrazin-2-yl]methyl]-2-methylpropan-2-amine
CID 66465906
6-(3,4-dimethylcyclohexyl)oxy-N-ethylpyrimidin-4-amine
CID 80876764
N-[[3-chloro-6-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64747184

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine (CID 113378067) is N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine is CCNCc1coc(OC2CCC(C)C(C)C2)n1.
What is the InChIKey of N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is NPMXEDZFIPWTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-15-8-12-9-17-14(16-12)18-13-6-5-10(2)11(3)7-13/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine?
N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 252.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dimethylcyclohexyl)oxy-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 113378067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).