4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine

C12H17F3N4O2 — CID 79072177

IUPAC4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc(C3(C(F)(F)F)CCNC3)n2)C1
InChIInChI=1S/C12H17F3N4O2/c1-19-4-5-20-8(6-19)9-17-10(21-18-9)11(12(13,14)15)2-3-16-7-11/h8,16H,2-7H2,1H3
InChIKeyFKOJCMYTYFSAPW-UHFFFAOYSA-N
MW306.29 g/mol
LogP0.87
Rot. Bonds2

About 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine

4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 79072177) has the molecular formula C12H17F3N4O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID79072177
Molecular FormulaC12H17F3N4O2
Molecular Weight306.29 g/mol
Exact Mass306.13
IUPAC Name4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine
SMILESCN1CCOC(c2noc(C3(C(F)(F)F)CCNC3)n2)C1
InChIInChI=1S/C12H17F3N4O2/c1-19-4-5-20-8(6-19)9-17-10(21-18-9)11(12(13,14)15)2-3-16-7-11/h8,16H,2-7H2,1H3
InChIKeyFKOJCMYTYFSAPW-UHFFFAOYSA-N
XLogP0.87
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine (CID 79072177) is 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine is CN1CCOC(c2noc(C3(C(F)(F)F)CCNC3)n2)C1.
What is the InChIKey of 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is FKOJCMYTYFSAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O2/c1-19-4-5-20-8(6-19)9-17-10(21-18-9)11(12(13,14)15)2-3-16-7-11/h8,16H,2-7H2,1H3.
What are the key properties of 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine?
4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 306.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 79072177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).