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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Related Compounds

1-(3-cycloheptyl-1,2-oxazol-5-yl)butan-1-amine
CID 114160497
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
2-(3-cyclobutyl-1,2-oxazol-5-yl)ethanamine
CID 83845883
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
4-iodo-5-(3-methylcyclohexyl)-1,2-oxazol-3-amine
CID 130847579
2-(3-cyclobutyl-1,2-oxazol-5-yl)propan-2-amine
CID 83846539
(1S)-1-[3-(2-cyclopropyl-4-pyridinyl)-1,2-oxazol-5-yl]ethanamine
CID 166761000
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
CID 124508943
1-(3-methylcyclohexyl)ethanamine
CID 54595475
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469

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).