2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

C17H19F2N3O3 — CID 129474439

IUPAC2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-10(2)16-20-21-17(25-16)14-9-24-6-5-22(14)15(23)7-11-3-4-12(18)8-13(11)19/h3-4,8,10,14H,5-7,9H2,1-2H3/t14-/m0/s1
InChIKeyZSVGEVFXHFYDDM-AWEZNQCLSA-N
MW351.35 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone

2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (PubChem CID 129474439) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
PubChem CID129474439
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
SMILESCC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2F)o1
InChIInChI=1S/C17H19F2N3O3/c1-10(2)16-20-21-17(25-16)14-9-24-6-5-22(14)15(23)7-11-3-4-12(18)8-13(11)19/h3-4,8,10,14H,5-7,9H2,1-2H3/t14-/m0/s1
InChIKeyZSVGEVFXHFYDDM-AWEZNQCLSA-N
XLogP2.61
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone (CID 129474439) is 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is CC(C)c1nnc([C@@H]2COCCN2C(=O)Cc2ccc(F)cc2F)o1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
The InChIKey is ZSVGEVFXHFYDDM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-10(2)16-20-21-17(25-16)14-9-24-6-5-22(14)15(23)7-11-3-4-12(18)8-13(11)19/h3-4,8,10,14H,5-7,9H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone?
2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone has a molecular weight of 351.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-[(3S)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 129474439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).