(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine

C17H19FN6O2 — CID 154761953

IUPAC(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(-c3cn(Cc4cccc(F)c4)nn3)o2)O1
InChIInChI=1S/C17H19FN6O2/c1-11-7-23(2)10-15(25-11)17-21-20-16(26-17)14-9-24(22-19-14)8-12-4-3-5-13(18)6-12/h3-6,9,11,15H,7-8,10H2,1-2H3/t11-,15-/m1/s1
InChIKeyBOMBCFGOAQRZRM-IAQYHMDHSA-N
MW358.38 g/mol
LogP1.91
Rot. Bonds4

About (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine

(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine (PubChem CID 154761953) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
PubChem CID154761953
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC Name(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine
SMILESC[C@@H]1CN(C)C[C@H](c2nnc(-c3cn(Cc4cccc(F)c4)nn3)o2)O1
InChIInChI=1S/C17H19FN6O2/c1-11-7-23(2)10-15(25-11)17-21-20-16(26-17)14-9-24(22-19-14)8-12-4-3-5-13(18)6-12/h3-6,9,11,15H,7-8,10H2,1-2H3/t11-,15-/m1/s1
InChIKeyBOMBCFGOAQRZRM-IAQYHMDHSA-N
XLogP1.91
TPSA82.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine (CID 154761953) is (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine is C[C@@H]1CN(C)C[C@H](c2nnc(-c3cn(Cc4cccc(F)c4)nn3)o2)O1.
What is the InChIKey of (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
The InChIKey is BOMBCFGOAQRZRM-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-11-7-23(2)10-15(25-11)17-21-20-16(26-17)14-9-24(22-19-14)8-12-4-3-5-13(18)6-12/h3-6,9,11,15H,7-8,10H2,1-2H3/t11-,15-/m1/s1.
What are the key properties of (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine?
(2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine has a molecular weight of 358.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-[5-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,3,4-oxadiazol-2-yl]-4,6-dimethylmorpholine is sourced from PubChem (CID 154761953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).