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

C17H17N3O2 — CID 718615

IUPACN-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C
InChIInChI=1S/C17H17N3O2/c1-3-5-15(21)19-13-10-12(8-7-11(13)2)17-20-16-14(22-17)6-4-9-18-16/h4,6-10H,3,5H2,1-2H3,(H,19,21)
InChIKeyQSFSZRNZJAHUMO-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.94
Rot. Bonds4

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

N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (PubChem CID 718615) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
PubChem CID718615
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C
InChIInChI=1S/C17H17N3O2/c1-3-5-15(21)19-13-10-12(8-7-11(13)2)17-20-16-14(22-17)6-4-9-18-16/h4,6-10H,3,5H2,1-2H3,(H,19,21)
InChIKeyQSFSZRNZJAHUMO-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The IUPAC name of N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide (CID 718615) is N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The canonical SMILES for N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is CCCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C.
What is the InChIKey of N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
The InChIKey is QSFSZRNZJAHUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-3-5-15(21)19-13-10-12(8-7-11(13)2)17-20-16-14(22-17)6-4-9-18-16/h4,6-10H,3,5H2,1-2H3,(H,19,21).
What are the key properties of N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide?
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide has a molecular weight of 295.34 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]butanamide is sourced from PubChem (CID 718615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).