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

C20H14ClN3O3 — CID 1333364

IUPAC5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-8-7-13(21)11-15(16)19(25)23-14-5-2-4-12(10-14)20-24-18-17(27-20)6-3-9-22-18/h2-11H,1H3,(H,23,25)
InChIKeyIRDLEFWJGOHCKM-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.80
Rot. Bonds4

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

5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1333364) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1333364
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-8-7-13(21)11-15(16)19(25)23-14-5-2-4-12(10-14)20-24-18-17(27-20)6-3-9-22-18/h2-11H,1H3,(H,23,25)
InChIKeyIRDLEFWJGOHCKM-UHFFFAOYSA-N
XLogP4.80
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1333364) is 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is IRDLEFWJGOHCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-26-16-8-7-13(21)11-15(16)19(25)23-14-5-2-4-12(10-14)20-24-18-17(27-20)6-3-9-22-18/h2-11H,1H3,(H,23,25).
What are the key properties of 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 379.80 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1333364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).