3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole

C19H21F3N2O3 — CID 136551340

IUPAC3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole
SMILESCC1COCCC1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1
InChIInChI=1S/C19H21F3N2O3/c1-12-11-25-9-6-15(12)16-23-17(27-24-16)18(7-3-8-18)13-4-2-5-14(10-13)26-19(20,21)22/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyMTCBYIMJPFEPHX-UHFFFAOYSA-N
MW382.38 g/mol
LogP4.58
Rot. Bonds4

About 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole

3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole (PubChem CID 136551340) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole
PubChem CID136551340
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole
SMILESCC1COCCC1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1
InChIInChI=1S/C19H21F3N2O3/c1-12-11-25-9-6-15(12)16-23-17(27-24-16)18(7-3-8-18)13-4-2-5-14(10-13)26-19(20,21)22/h2,4-5,10,12,15H,3,6-9,11H2,1H3
InChIKeyMTCBYIMJPFEPHX-UHFFFAOYSA-N
XLogP4.58
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole (CID 136551340) is 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole is CC1COCCC1c1noc(C2(c3cccc(OC(F)(F)F)c3)CCC2)n1.
What is the InChIKey of 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole?
The InChIKey is MTCBYIMJPFEPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-12-11-25-9-6-15(12)16-23-17(27-24-16)18(7-3-8-18)13-4-2-5-14(10-13)26-19(20,21)22/h2,4-5,10,12,15H,3,6-9,11H2,1H3.
What are the key properties of 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole?
3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 382.38 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyloxan-4-yl)-5-[1-[3-(trifluoromethoxy)phenyl]cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136551340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).