methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

C16H21F3N2O5 — CID 165399647

IUPACmethyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(COC3CC(OC(F)(F)F)C3)o2)CC1
InChIInChI=1S/C16H21F3N2O5/c1-23-15(22)10-4-2-9(3-5-10)14-21-20-13(25-14)8-24-11-6-12(7-11)26-16(17,18)19/h9-12H,2-8H2,1H3
InChIKeyYFJABBHCQXICEZ-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.10
Rot. Bonds6

About methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate

methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (PubChem CID 165399647) has the molecular formula C16H21F3N2O5 and a molecular weight of 378.35 g/mol. Its IUPAC name is methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
PubChem CID165399647
Molecular FormulaC16H21F3N2O5
Molecular Weight378.35 g/mol
Exact Mass378.14
IUPAC Namemethyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nnc(COC3CC(OC(F)(F)F)C3)o2)CC1
InChIInChI=1S/C16H21F3N2O5/c1-23-15(22)10-4-2-9(3-5-10)14-21-20-13(25-14)8-24-11-6-12(7-11)26-16(17,18)19/h9-12H,2-8H2,1H3
InChIKeyYFJABBHCQXICEZ-UHFFFAOYSA-N
XLogP3.10
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate (CID 165399647) is methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nnc(COC3CC(OC(F)(F)F)C3)o2)CC1.
What is the InChIKey of methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
The InChIKey is YFJABBHCQXICEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O5/c1-23-15(22)10-4-2-9(3-5-10)14-21-20-13(25-14)8-24-11-6-12(7-11)26-16(17,18)19/h9-12H,2-8H2,1H3.
What are the key properties of methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate?
methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate has a molecular weight of 378.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-[[3-(trifluoromethoxy)cyclobutyl]oxymethyl]-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 165399647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).