2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine

C11H20N2O — CID 115060961

IUPAC2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine
SMILESNCCC1COC(C2CCCCC2)=N1
InChIInChI=1S/C11H20N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h9-10H,1-8,12H2
InChIKeyWALKDMPOPBJDNB-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine

2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine (PubChem CID 115060961) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine
PubChem CID115060961
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine
SMILESNCCC1COC(C2CCCCC2)=N1
InChIInChI=1S/C11H20N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h9-10H,1-8,12H2
InChIKeyWALKDMPOPBJDNB-UHFFFAOYSA-N
XLogP1.71
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine?
The IUPAC name of 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine (CID 115060961) is 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine is NCCC1COC(C2CCCCC2)=N1.
What is the InChIKey of 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine?
The InChIKey is WALKDMPOPBJDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c12-7-6-10-8-14-11(13-10)9-4-2-1-3-5-9/h9-10H,1-8,12H2.
What are the key properties of 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine?
2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine has a molecular weight of 196.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-4,5-dihydro-1,3-oxazol-4-yl)ethanamine is sourced from PubChem (CID 115060961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).