3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

C22H21F2N3O4 — CID 92573009

IUPAC3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C22H21F2N3O4/c23-16-5-3-6-17(13-16)29-10-8-21(28)27-9-11-30-19(14-27)22-25-20(26-31-22)12-15-4-1-2-7-18(15)24/h1-7,13,19H,8-12,14H2/t19-/m0/s1
InChIKeyZVQKXJNYXHNQHL-IBGZPJMESA-N
MW429.42 g/mol
LogP3.31
Rot. Bonds7

About 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one

3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (PubChem CID 92573009) has the molecular formula C22H21F2N3O4 and a molecular weight of 429.42 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
PubChem CID92573009
Molecular FormulaC22H21F2N3O4
Molecular Weight429.42 g/mol
Exact Mass429.15
IUPAC Name3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1
InChIInChI=1S/C22H21F2N3O4/c23-16-5-3-6-17(13-16)29-10-8-21(28)27-9-11-30-19(14-27)22-25-20(26-31-22)12-15-4-1-2-7-18(15)24/h1-7,13,19H,8-12,14H2/t19-/m0/s1
InChIKeyZVQKXJNYXHNQHL-IBGZPJMESA-N
XLogP3.31
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one (CID 92573009) is 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is O=C(CCOc1cccc(F)c1)N1CCO[C@H](c2nc(Cc3ccccc3F)no2)C1.
What is the InChIKey of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
The InChIKey is ZVQKXJNYXHNQHL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21F2N3O4/c23-16-5-3-6-17(13-16)29-10-8-21(28)27-9-11-30-19(14-27)22-25-20(26-31-22)12-15-4-1-2-7-18(15)24/h1-7,13,19H,8-12,14H2/t19-/m0/s1.
What are the key properties of 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one?
3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one has a molecular weight of 429.42 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-1-[(2S)-2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 92573009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).