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

C20H14ClN3O3 — CID 46496574

IUPACN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-6-3-2-5-13(16)19(25)23-12-8-9-15(21)14(11-12)20-24-18-17(27-20)7-4-10-22-18/h2-11H,1H3,(H,23,25)
InChIKeyLZDSDSSDKWZIJP-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.80
Rot. Bonds4

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

N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide (PubChem CID 46496574) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
PubChem CID46496574
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC NameN-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
InChIInChI=1S/C20H14ClN3O3/c1-26-16-6-3-2-5-13(16)19(25)23-12-8-9-15(21)14(11-12)20-24-18-17(27-20)7-4-10-22-18/h2-11H,1H3,(H,23,25)
InChIKeyLZDSDSSDKWZIJP-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 N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide (CID 46496574) is N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1.
What is the InChIKey of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
The InChIKey is LZDSDSSDKWZIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c1-26-16-6-3-2-5-13(16)19(25)23-12-8-9-15(21)14(11-12)20-24-18-17(27-20)7-4-10-22-18/h2-11H,1H3,(H,23,25).
What are the key properties of N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide?
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide 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 N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 46496574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).