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

C20H15N3O2 — CID 1385138

IUPAC4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-7-9-14(10-8-13)19(24)22-16-5-2-4-15(12-16)20-23-18-17(25-20)6-3-11-21-18/h2-12H,1H3,(H,22,24)
InChIKeySIIASTIMVKRMRA-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.45
Rot. Bonds3

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

4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1385138) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
PubChem CID1385138
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1
InChIInChI=1S/C20H15N3O2/c1-13-7-9-14(10-8-13)19(24)22-16-5-2-4-15(12-16)20-23-18-17(25-20)6-3-11-21-18/h2-12H,1H3,(H,22,24)
InChIKeySIIASTIMVKRMRA-UHFFFAOYSA-N
XLogP4.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1385138) is 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1.
What is the InChIKey of 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
The InChIKey is SIIASTIMVKRMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-13-7-9-14(10-8-13)19(24)22-16-5-2-4-15(12-16)20-23-18-17(25-20)6-3-11-21-18/h2-12H,1H3,(H,22,24).
What are the key properties of 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?
4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1385138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).