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

C17H17N3O2 — CID 4089406

IUPAC3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C17H17N3O2/c1-11(2)9-15(21)19-13-6-3-5-12(10-13)17-20-16-14(22-17)7-4-8-18-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyRONBSLWCJWUAAG-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.87
Rot. Bonds4

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

3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 4089406) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
PubChem CID4089406
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C17H17N3O2/c1-11(2)9-15(21)19-13-6-3-5-12(10-13)17-20-16-14(22-17)7-4-8-18-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKeyRONBSLWCJWUAAG-UHFFFAOYSA-N
XLogP3.87
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (CID 4089406) is 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is CC(C)CC(=O)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is RONBSLWCJWUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(2)9-15(21)19-13-6-3-5-12(10-13)17-20-16-14(22-17)7-4-8-18-16/h3-8,10-11H,9H2,1-2H3,(H,19,21).
What are the key properties of 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 295.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 4089406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).