methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate

C13H21NO3 — CID 165390003

IUPACmethyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate
SMILESCOC(=O)CC1(C)CC(C2CCCCC2)=NO1
InChIInChI=1S/C13H21NO3/c1-13(9-12(15)16-2)8-11(14-17-13)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyXCQZOANIOHCYSA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.66
Rot. Bonds3

About methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate

methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate (PubChem CID 165390003) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate
PubChem CID165390003
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate
SMILESCOC(=O)CC1(C)CC(C2CCCCC2)=NO1
InChIInChI=1S/C13H21NO3/c1-13(9-12(15)16-2)8-11(14-17-13)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyXCQZOANIOHCYSA-UHFFFAOYSA-N
XLogP2.66
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate?
The IUPAC name of methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate (CID 165390003) is methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate.
What is the SMILES notation for methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate?
The canonical SMILES for methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate is COC(=O)CC1(C)CC(C2CCCCC2)=NO1.
What is the InChIKey of methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate?
The InChIKey is XCQZOANIOHCYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(9-12(15)16-2)8-11(14-17-13)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate?
methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate has a molecular weight of 239.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-cyclohexyl-5-methyl-4H-1,2-oxazol-5-yl)acetate is sourced from PubChem (CID 165390003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).