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

C20H14ClN3O2 — CID 6462483

IUPAC4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c21-16-9-7-14(8-10-16)19(25)23-12-13-3-5-15(6-4-13)20-24-18-17(26-20)2-1-11-22-18/h1-11H,12H2,(H,23,25)
InChIKeyUJKQXVLWILSWLE-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.47
Rot. Bonds4

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

4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide (PubChem CID 6462483) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
PubChem CID6462483
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClN3O2/c21-16-9-7-14(8-10-16)19(25)23-12-13-3-5-15(6-4-13)20-24-18-17(26-20)2-1-11-22-18/h1-11H,12H2,(H,23,25)
InChIKeyUJKQXVLWILSWLE-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide (CID 6462483) is 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
The InChIKey is UJKQXVLWILSWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-16-9-7-14(8-10-16)19(25)23-12-13-3-5-15(6-4-13)20-24-18-17(26-20)2-1-11-22-18/h1-11H,12H2,(H,23,25).
What are the key properties of 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide?
4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide has a molecular weight of 363.80 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 6462483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).