5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one

C11H17NO2 — CID 70634055

IUPAC5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)OC1C1CCCCC1
InChIInChI=1S/C11H17NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h8,10H,2-7H2,1H3
InChIKeyFQZFSUGYNPWRGL-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.94
Rot. Bonds2

About 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one

5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one (PubChem CID 70634055) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one
PubChem CID70634055
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one
SMILESCCC1=NC(=O)OC1C1CCCCC1
InChIInChI=1S/C11H17NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h8,10H,2-7H2,1H3
InChIKeyFQZFSUGYNPWRGL-UHFFFAOYSA-N
XLogP2.94
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one?
The IUPAC name of 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one (CID 70634055) is 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one.
What is the SMILES notation for 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one?
The canonical SMILES for 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one is CCC1=NC(=O)OC1C1CCCCC1.
What is the InChIKey of 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one?
The InChIKey is FQZFSUGYNPWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-9-10(14-11(13)12-9)8-6-4-3-5-7-8/h8,10H,2-7H2,1H3.
What are the key properties of 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one?
5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one has a molecular weight of 195.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-ethyl-5H-1,3-oxazol-2-one is sourced from PubChem (CID 70634055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).