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

C19H12ClN3O2 — CID 705381

IUPAC4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyNLEXBLJPTZVTNN-UHFFFAOYSA-N
MW349.78 g/mol
LogP4.80
Rot. Bonds3

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

4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 705381) has the molecular formula C19H12ClN3O2 and a molecular weight of 349.78 g/mol. Its IUPAC name is 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID705381
Molecular FormulaC19H12ClN3O2
Molecular Weight349.78 g/mol
Exact Mass349.06
IUPAC Name4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24)
InChIKeyNLEXBLJPTZVTNN-UHFFFAOYSA-N
XLogP4.80
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 705381) is 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is NLEXBLJPTZVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O2/c20-14-8-6-12(7-9-14)18(24)22-15-4-1-3-13(11-15)19-23-17-16(25-19)5-2-10-21-17/h1-11H,(H,22,24).
What are the key properties of 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 349.78 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 705381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).