3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C19H12FN3O2 — CID 712710

IUPAC3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3O2/c20-14-4-1-3-13(11-14)18(24)22-15-8-6-12(7-9-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyVRDCEUVVLRMVGA-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.28
Rot. Bonds3

About 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 712710) has the molecular formula C19H12FN3O2 and a molecular weight of 333.32 g/mol. Its IUPAC name is 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID712710
Molecular FormulaC19H12FN3O2
Molecular Weight333.32 g/mol
Exact Mass333.09
IUPAC Name3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1
InChIInChI=1S/C19H12FN3O2/c20-14-4-1-3-13(11-14)18(24)22-15-8-6-12(7-9-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyVRDCEUVVLRMVGA-UHFFFAOYSA-N
XLogP4.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 712710) is 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is VRDCEUVVLRMVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O2/c20-14-4-1-3-13(11-14)18(24)22-15-8-6-12(7-9-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24).
What are the key properties of 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 333.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 712710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).