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

C20H13Cl2N3O3 — CID 1338437

IUPAC5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-27-16-7-5-12(21)10-13(16)19(26)24-15-9-11(4-6-14(15)22)20-25-18-17(28-20)3-2-8-23-18/h2-10H,1H3,(H,24,26)
InChIKeyBRAFAWUZLBIBFL-UHFFFAOYSA-N
MW414.25 g/mol
LogP5.46
Rot. Bonds4

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

5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 1338437) has the molecular formula C20H13Cl2N3O3 and a molecular weight of 414.25 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
PubChem CID1338437
Molecular FormulaC20H13Cl2N3O3
Molecular Weight414.25 g/mol
Exact Mass413.03
IUPAC Name5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl
InChIInChI=1S/C20H13Cl2N3O3/c1-27-16-7-5-12(21)10-13(16)19(26)24-15-9-11(4-6-14(15)22)20-25-18-17(28-20)3-2-8-23-18/h2-10H,1H3,(H,24,26)
InChIKeyBRAFAWUZLBIBFL-UHFFFAOYSA-N
XLogP5.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.25
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide (CID 1338437) is 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl.
What is the InChIKey of 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is BRAFAWUZLBIBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O3/c1-27-16-7-5-12(21)10-13(16)19(26)24-15-9-11(4-6-14(15)22)20-25-18-17(28-20)3-2-8-23-18/h2-10H,1H3,(H,24,26).
What are the key properties of 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide has a molecular weight of 414.25 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 1338437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).