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

C15H23NO3 — CID 71856991

IUPACcyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate
SMILESCCc1noc(CC)c1CC(=O)OC1CCCCC1
InChIInChI=1S/C15H23NO3/c1-3-13-12(14(4-2)19-16-13)10-15(17)18-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyGPNLEVHITLHNRG-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.22
Rot. Bonds5

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

cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate (PubChem CID 71856991) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate
PubChem CID71856991
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namecyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate
SMILESCCc1noc(CC)c1CC(=O)OC1CCCCC1
InChIInChI=1S/C15H23NO3/c1-3-13-12(14(4-2)19-16-13)10-15(17)18-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3
InChIKeyGPNLEVHITLHNRG-UHFFFAOYSA-N
XLogP3.22
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate?
The IUPAC name of cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate (CID 71856991) is cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate?
The canonical SMILES for cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate is CCc1noc(CC)c1CC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate?
The InChIKey is GPNLEVHITLHNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-13-12(14(4-2)19-16-13)10-15(17)18-11-8-6-5-7-9-11/h11H,3-10H2,1-2H3.
What are the key properties of cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate?
cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate has a molecular weight of 265.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(3,5-diethyl-1,2-oxazol-4-yl)acetate is sourced from PubChem (CID 71856991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).