5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

C15H12FN3O2 — CID 137462733

IUPAC5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESNc1cccc(-c2ccc(C3=NNC(=O)OC3)cc2F)c1
InChIInChI=1S/C15H12FN3O2/c16-13-7-10(14-8-21-15(20)19-18-14)4-5-12(13)9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,19,20)
InChIKeySLCSFIUDWJVKRJ-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.52
Rot. Bonds2

About 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one

5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462733) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462733
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESNc1cccc(-c2ccc(C3=NNC(=O)OC3)cc2F)c1
InChIInChI=1S/C15H12FN3O2/c16-13-7-10(14-8-21-15(20)19-18-14)4-5-12(13)9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,19,20)
InChIKeySLCSFIUDWJVKRJ-UHFFFAOYSA-N
XLogP2.52
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462733) is 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is Nc1cccc(-c2ccc(C3=NNC(=O)OC3)cc2F)c1.
What is the InChIKey of 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is SLCSFIUDWJVKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-13-7-10(14-8-21-15(20)19-18-14)4-5-12(13)9-2-1-3-11(17)6-9/h1-7H,8,17H2,(H,19,20).
What are the key properties of 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 285.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-aminophenyl)-3-fluorophenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).