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

C10H15NO2 — CID 70098962

IUPAC4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=C(C2CCCCC2)C(=O)O1
InChIInChI=1S/C10H15NO2/c1-7-11-9(10(12)13-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyDVXZFRFBRFZVJL-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.91
Rot. Bonds1

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

4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one (PubChem CID 70098962) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one
PubChem CID70098962
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one
SMILESCC1N=C(C2CCCCC2)C(=O)O1
InChIInChI=1S/C10H15NO2/c1-7-11-9(10(12)13-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyDVXZFRFBRFZVJL-UHFFFAOYSA-N
XLogP1.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one?
The IUPAC name of 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one (CID 70098962) is 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one.
What is the SMILES notation for 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one?
The canonical SMILES for 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one is CC1N=C(C2CCCCC2)C(=O)O1.
What is the InChIKey of 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one?
The InChIKey is DVXZFRFBRFZVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-11-9(10(12)13-7)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one?
4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one has a molecular weight of 181.24 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-methyl-2H-1,3-oxazol-5-one is sourced from PubChem (CID 70098962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).