2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

C14H18F3NO4 — CID 91400362

IUPAC2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOCCOC(=O)c1nc(C2CCCCC2)oc1C(F)(F)F
InChIInChI=1S/C14H18F3NO4/c1-20-7-8-21-13(19)10-11(14(15,16)17)22-12(18-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyHIJPKSUGBPTTGS-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.54
Rot. Bonds5

About 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 91400362) has the molecular formula C14H18F3NO4 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID91400362
Molecular FormulaC14H18F3NO4
Molecular Weight321.30 g/mol
Exact Mass321.12
IUPAC Name2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOCCOC(=O)c1nc(C2CCCCC2)oc1C(F)(F)F
InChIInChI=1S/C14H18F3NO4/c1-20-7-8-21-13(19)10-11(14(15,16)17)22-12(18-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3
InChIKeyHIJPKSUGBPTTGS-UHFFFAOYSA-N
XLogP3.54
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (CID 91400362) is 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is COCCOC(=O)c1nc(C2CCCCC2)oc1C(F)(F)F.
What is the InChIKey of 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is HIJPKSUGBPTTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO4/c1-20-7-8-21-13(19)10-11(14(15,16)17)22-12(18-10)9-5-3-2-4-6-9/h9H,2-8H2,1H3.
What are the key properties of 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 321.30 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-cyclohexyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 91400362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).