2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

C17H17N3O3 — CID 2746411

IUPAC2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)oc3cccnc32)cc1
InChIInChI=1S/C17H17N3O3/c1-11(2)12-5-7-13(8-6-12)19-15(21)10-20-16-14(23-17(20)22)4-3-9-18-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyLZIPYNJQHIWHOA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2746411) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2746411
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2c(=O)oc3cccnc32)cc1
InChIInChI=1S/C17H17N3O3/c1-11(2)12-5-7-13(8-6-12)19-15(21)10-20-16-14(23-17(20)22)4-3-9-18-16/h3-9,11H,10H2,1-2H3,(H,19,21)
InChIKeyLZIPYNJQHIWHOA-UHFFFAOYSA-N
XLogP2.75
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 2746411) is 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2c(=O)oc3cccnc32)cc1.
What is the InChIKey of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is LZIPYNJQHIWHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11(2)12-5-7-13(8-6-12)19-15(21)10-20-16-14(23-17(20)22)4-3-9-18-16/h3-9,11H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2746411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).