1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C17H20FN3O3 — CID 27661448

IUPAC1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C[C@@H](C)O1
InChIInChI=1S/C17H20FN3O3/c1-11-9-21(10-12(2)23-11)16(22)8-7-15-19-17(20-24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyURMFKSVSPMQMBJ-VXGBXAGGSA-N
MW333.36 g/mol
LogP2.44
Rot. Bonds4

About 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 27661448) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID27661448
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESC[C@@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C[C@@H](C)O1
InChIInChI=1S/C17H20FN3O3/c1-11-9-21(10-12(2)23-11)16(22)8-7-15-19-17(20-24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1
InChIKeyURMFKSVSPMQMBJ-VXGBXAGGSA-N
XLogP2.44
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9225773
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CID 22221218
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CID 100727819
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 27661448) is 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is C[C@@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)C[C@@H](C)O1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is URMFKSVSPMQMBJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-9-21(10-12(2)23-11)16(22)8-7-15-19-17(20-24-15)13-3-5-14(18)6-4-13/h3-6,11-12H,7-10H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 333.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 27661448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).