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

C16H15N3O2 — CID 6463413

IUPACN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-14(20)18-10-11-5-7-12(8-6-11)16-19-15-13(21-16)4-3-9-17-15/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyATEZJNHKQATBDZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.92
Rot. Bonds4

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

N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide (PubChem CID 6463413) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide
PubChem CID6463413
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide
SMILESCCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-14(20)18-10-11-5-7-12(8-6-11)16-19-15-13(21-16)4-3-9-17-15/h3-9H,2,10H2,1H3,(H,18,20)
InChIKeyATEZJNHKQATBDZ-UHFFFAOYSA-N
XLogP2.92
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide?
The IUPAC name of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide (CID 6463413) is N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide.
What is the SMILES notation for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide?
The canonical SMILES for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide is CCC(=O)NCc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide?
The InChIKey is ATEZJNHKQATBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-14(20)18-10-11-5-7-12(8-6-11)16-19-15-13(21-16)4-3-9-17-15/h3-9H,2,10H2,1H3,(H,18,20).
What are the key properties of N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide?
N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide has a molecular weight of 281.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 6463413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).