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

C19H16FN3O3 — CID 50828659

IUPAC[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCOCC1
InChIInChI=1S/C19H16FN3O3/c20-16-6-4-13(5-7-16)17-21-18(26-22-17)14-2-1-3-15(12-14)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyMVFQNKFYPYWKTN-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.02
Rot. Bonds3

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

[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 50828659) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID50828659
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCOCC1
InChIInChI=1S/C19H16FN3O3/c20-16-6-4-13(5-7-16)17-21-18(26-22-17)14-2-1-3-15(12-14)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2
InChIKeyMVFQNKFYPYWKTN-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 [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone (CID 50828659) is [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2nc(-c3ccc(F)cc3)no2)c1)N1CCOCC1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is MVFQNKFYPYWKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c20-16-6-4-13(5-7-16)17-21-18(26-22-17)14-2-1-3-15(12-14)19(24)23-8-10-25-11-9-23/h1-7,12H,8-11H2.
What are the key properties of [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone?
[3-[3-(4-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 [3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50828659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).