[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone

C19H16FN3O3 — CID 50828656

IUPAC[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCOCC1
InChIInChI=1S/C19H16FN3O3/c20-16-3-1-2-15(12-16)17-21-18(26-22-17)13-4-6-14(7-5-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyVGURXXGXXVFORH-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.02
Rot. Bonds3

About [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 50828656) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID50828656
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCOCC1
InChIInChI=1S/C19H16FN3O3/c20-16-3-1-2-15(12-16)17-21-18(26-22-17)13-4-6-14(7-5-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyVGURXXGXXVFORH-UHFFFAOYSA-N
XLogP3.02
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 50828656) is [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1)N1CCOCC1.
What is the InChIKey of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VGURXXGXXVFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-16-3-1-2-15(12-16)17-21-18(26-22-17)13-4-6-14(7-5-13)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2.
What are the key properties of [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 353.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50828656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).