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

C15H17F3N4O2 — CID 120752296

IUPAC[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)no1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)11-3-1-2-10(6-11)12-8-22(4-5-23-12)9-13-20-14(7-19)24-21-13/h1-3,6,12H,4-5,7-9,19H2
InChIKeySHZZVKSODHQCFS-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.12
Rot. Bonds4

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

[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 120752296) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID120752296
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)no1
InChIInChI=1S/C15H17F3N4O2/c16-15(17,18)11-3-1-2-10(6-11)12-8-22(4-5-23-12)9-13-20-14(7-19)24-21-13/h1-3,6,12H,4-5,7-9,19H2
InChIKeySHZZVKSODHQCFS-UHFFFAOYSA-N
XLogP2.12
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 120752296) is [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(CN2CCOC(c3cccc(C(F)(F)F)c3)C2)no1.
What is the InChIKey of [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is SHZZVKSODHQCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c16-15(17,18)11-3-1-2-10(6-11)12-8-22(4-5-23-12)9-13-20-14(7-19)24-21-13/h1-3,6,12H,4-5,7-9,19H2.
What are the key properties of [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 342.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 120752296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).