(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine

C18H24FN3O2 — CID 164641625

IUPAC(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)no1
InChIInChI=1S/C18H24FN3O2/c1-12(2)17-20-16(21-24-17)10-22-9-15(23-11-18(22,3)4)13-6-5-7-14(19)8-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1
InChIKeyUMEWBWBSTSCWOQ-HNNXBMFYSA-N
MW333.41 g/mol
LogP3.68
Rot. Bonds4

About (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine

(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine (PubChem CID 164641625) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
PubChem CID164641625
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine
SMILESCC(C)c1nc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)no1
InChIInChI=1S/C18H24FN3O2/c1-12(2)17-20-16(21-24-17)10-22-9-15(23-11-18(22,3)4)13-6-5-7-14(19)8-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1
InChIKeyUMEWBWBSTSCWOQ-HNNXBMFYSA-N
XLogP3.68
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine (CID 164641625) is (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine is CC(C)c1nc(CN2C[C@@H](c3cccc(F)c3)OCC2(C)C)no1.
What is the InChIKey of (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
The InChIKey is UMEWBWBSTSCWOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-12(2)17-20-16(21-24-17)10-22-9-15(23-11-18(22,3)4)13-6-5-7-14(19)8-13/h5-8,12,15H,9-11H2,1-4H3/t15-/m0/s1.
What are the key properties of (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine?
(2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine has a molecular weight of 333.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-fluorophenyl)-5,5-dimethyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]morpholine is sourced from PubChem (CID 164641625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).