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

C14H14F3N3O2 — CID 126803663

IUPAC4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCc1nnc(N2CCOC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C14H14F3N3O2/c1-9-18-19-13(22-9)20-5-6-21-12(8-20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3
InChIKeyMYERNCZVEAGODB-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.97
Rot. Bonds2

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

4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine (PubChem CID 126803663) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
PubChem CID126803663
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCc1nnc(N2CCOC(c3cccc(C(F)(F)F)c3)C2)o1
InChIInChI=1S/C14H14F3N3O2/c1-9-18-19-13(22-9)20-5-6-21-12(8-20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3
InChIKeyMYERNCZVEAGODB-UHFFFAOYSA-N
XLogP2.97
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine (CID 126803663) is 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine is Cc1nnc(N2CCOC(c3cccc(C(F)(F)F)c3)C2)o1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is MYERNCZVEAGODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-9-18-19-13(22-9)20-5-6-21-12(8-20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 313.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 126803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).