1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine

C12H20N2O — CID 114420326

IUPAC1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC1CCCC(c2cc(C(C)N)on2)C1
InChIInChI=1S/C12H20N2O/c1-8-4-3-5-10(6-8)11-7-12(9(2)13)15-14-11/h7-10H,3-6,13H2,1-2H3
InChIKeyAMAOWVYLLDGLGG-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.99
Rot. Bonds2

About 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine

1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 114420326) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine
PubChem CID114420326
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine
SMILESCC1CCCC(c2cc(C(C)N)on2)C1
InChIInChI=1S/C12H20N2O/c1-8-4-3-5-10(6-8)11-7-12(9(2)13)15-14-11/h7-10H,3-6,13H2,1-2H3
InChIKeyAMAOWVYLLDGLGG-UHFFFAOYSA-N
XLogP2.99
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine (CID 114420326) is 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine is CC1CCCC(c2cc(C(C)N)on2)C1.
What is the InChIKey of 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is AMAOWVYLLDGLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-3-5-10(6-8)11-7-12(9(2)13)15-14-11/h7-10H,3-6,13H2,1-2H3.
What are the key properties of 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine?
1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 208.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylcyclohexyl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 114420326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).