5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide

C11H13N3O3 — CID 66921889

IUPAC5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
SMILESNC(=O)CCCCn1c(=O)oc2cccnc21
InChIInChI=1S/C11H13N3O3/c12-9(15)5-1-2-7-14-10-8(17-11(14)16)4-3-6-13-10/h3-4,6H,1-2,5,7H2,(H2,12,15)
InChIKeyZLVWDTRGMWJFED-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.65
Rot. Bonds5

About 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide

5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide (PubChem CID 66921889) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
PubChem CID66921889
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide
SMILESNC(=O)CCCCn1c(=O)oc2cccnc21
InChIInChI=1S/C11H13N3O3/c12-9(15)5-1-2-7-14-10-8(17-11(14)16)4-3-6-13-10/h3-4,6H,1-2,5,7H2,(H2,12,15)
InChIKeyZLVWDTRGMWJFED-UHFFFAOYSA-N
XLogP0.65
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide?
The IUPAC name of 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide (CID 66921889) is 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide.
What is the SMILES notation for 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide?
The canonical SMILES for 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide is NC(=O)CCCCn1c(=O)oc2cccnc21.
What is the InChIKey of 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide?
The InChIKey is ZLVWDTRGMWJFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-9(15)5-1-2-7-14-10-8(17-11(14)16)4-3-6-13-10/h3-4,6H,1-2,5,7H2,(H2,12,15).
What are the key properties of 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide?
5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide has a molecular weight of 235.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)pentanamide is sourced from PubChem (CID 66921889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).