5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

C14H10FN3O2 — CID 137462720

IUPAC5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3cccnc3)c(F)c2)CO1
InChIInChI=1S/C14H10FN3O2/c15-12-6-9(13-8-20-14(19)18-17-13)3-4-11(12)10-2-1-5-16-7-10/h1-7H,8H2,(H,18,19)
InChIKeyUQYJCNPSDZVFDJ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.33
Rot. Bonds2

About 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 137462720) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID137462720
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2ccc(-c3cccnc3)c(F)c2)CO1
InChIInChI=1S/C14H10FN3O2/c15-12-6-9(13-8-20-14(19)18-17-13)3-4-11(12)10-2-1-5-16-7-10/h1-7H,8H2,(H,18,19)
InChIKeyUQYJCNPSDZVFDJ-UHFFFAOYSA-N
XLogP2.33
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 137462720) is 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2ccc(-c3cccnc3)c(F)c2)CO1.
What is the InChIKey of 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is UQYJCNPSDZVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c15-12-6-9(13-8-20-14(19)18-17-13)3-4-11(12)10-2-1-5-16-7-10/h1-7H,8H2,(H,18,19).
What are the key properties of 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 271.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-pyridin-3-ylphenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 137462720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).