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

C19H15F2N3O3 — CID 11303234

IUPAC(4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H15F2N3O3/c20-14-5-1-12(2-6-14)17-22-18(27-23-17)16-11-24(9-10-26-16)19(25)13-3-7-15(21)8-4-13/h1-8,16H,9-11H2
InChIKeyDAUVFJWNZUMGIQ-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.23
Rot. Bonds3

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

(4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (PubChem CID 11303234) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
PubChem CID11303234
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC Name(4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1
InChIInChI=1S/C19H15F2N3O3/c20-14-5-1-12(2-6-14)17-22-18(27-23-17)16-11-24(9-10-26-16)19(25)13-3-7-15(21)8-4-13/h1-8,16H,9-11H2
InChIKeyDAUVFJWNZUMGIQ-UHFFFAOYSA-N
XLogP3.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone (CID 11303234) is (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is O=C(c1ccc(F)cc1)N1CCOC(c2nc(-c3ccc(F)cc3)no2)C1.
What is the InChIKey of (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
The InChIKey is DAUVFJWNZUMGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c20-14-5-1-12(2-6-14)17-22-18(27-23-17)16-11-24(9-10-26-16)19(25)13-3-7-15(21)8-4-13/h1-8,16H,9-11H2.
What are the key properties of (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone?
(4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone has a molecular weight of 371.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 11303234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).