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

C16H15N3O2 — CID 694846

IUPAC2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C16H15N3O2/c1-10(2)15(20)18-12-7-5-11(6-8-12)16-19-14-13(21-16)4-3-9-17-14/h3-10H,1-2H3,(H,18,20)
InChIKeyKJASUPJGNMZRCB-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.48
Rot. Bonds3

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

2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (PubChem CID 694846) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
PubChem CID694846
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C16H15N3O2/c1-10(2)15(20)18-12-7-5-11(6-8-12)16-19-14-13(21-16)4-3-9-17-14/h3-10H,1-2H3,(H,18,20)
InChIKeyKJASUPJGNMZRCB-UHFFFAOYSA-N
XLogP3.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide (CID 694846) is 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
The InChIKey is KJASUPJGNMZRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(2)15(20)18-12-7-5-11(6-8-12)16-19-14-13(21-16)4-3-9-17-14/h3-10H,1-2H3,(H,18,20).
What are the key properties of 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide?
2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 694846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).