(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine

C15H17F2N3O2 — CID 124733566

IUPAC(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1
InChIInChI=1S/C15H17F2N3O2/c1-9(2)20-5-6-21-13(8-20)15-18-14(19-22-15)10-3-4-11(16)12(17)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t13-/m1/s1
InChIKeyLHMDVEZLZSXDEN-CYBMUJFWSA-N
MW309.32 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine

(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine (PubChem CID 124733566) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine
PubChem CID124733566
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine
SMILESCC(C)N1CCO[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1
InChIInChI=1S/C15H17F2N3O2/c1-9(2)20-5-6-21-13(8-20)15-18-14(19-22-15)10-3-4-11(16)12(17)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t13-/m1/s1
InChIKeyLHMDVEZLZSXDEN-CYBMUJFWSA-N
XLogP2.80
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575817
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
(2S)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120838767
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689851
tert-butyl 2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholine-4-carboxylate
CID 66618582
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901533
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
3-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79664886
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine?
The IUPAC name of (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine (CID 124733566) is (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine is CC(C)N1CCO[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)C1.
What is the InChIKey of (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine?
The InChIKey is LHMDVEZLZSXDEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(2)20-5-6-21-13(8-20)15-18-14(19-22-15)10-3-4-11(16)12(17)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine?
(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine has a molecular weight of 309.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 124733566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).