[1,2]oxazolo[5,4-b]pyridin-3-one

C6H4N2O2 — CID 1201514

IUPAC[1,2]oxazolo[5,4-b]pyridin-3-one
SMILESO=c1[nH]oc2ncccc12
InChIInChI=1S/C6H4N2O2/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKeyVHMSVJIBCHFSKU-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.52
Rot. Bonds

About [1,2]oxazolo[5,4-b]pyridin-3-one

[1,2]oxazolo[5,4-b]pyridin-3-one (PubChem CID 1201514) has the molecular formula C6H4N2O2 and a molecular weight of 136.11 g/mol. Its IUPAC name is [1,2]oxazolo[5,4-b]pyridin-3-one.

Molecular Properties

Compound Name[1,2]oxazolo[5,4-b]pyridin-3-one
PubChem CID1201514
Molecular FormulaC6H4N2O2
Molecular Weight136.11 g/mol
Exact Mass136.03
IUPAC Name[1,2]oxazolo[5,4-b]pyridin-3-one
SMILESO=c1[nH]oc2ncccc12
InChIInChI=1S/C6H4N2O2/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKeyVHMSVJIBCHFSKU-UHFFFAOYSA-N
XLogP0.52
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,2]oxazolo[5,4-b]pyridin-3-one?
The IUPAC name of [1,2]oxazolo[5,4-b]pyridin-3-one (CID 1201514) is [1,2]oxazolo[5,4-b]pyridin-3-one.
What is the SMILES notation for [1,2]oxazolo[5,4-b]pyridin-3-one?
The canonical SMILES for [1,2]oxazolo[5,4-b]pyridin-3-one is O=c1[nH]oc2ncccc12.
What is the InChIKey of [1,2]oxazolo[5,4-b]pyridin-3-one?
The InChIKey is VHMSVJIBCHFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O2/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9).
What are the key properties of [1,2]oxazolo[5,4-b]pyridin-3-one?
[1,2]oxazolo[5,4-b]pyridin-3-one has a molecular weight of 136.11 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2]oxazolo[5,4-b]pyridin-3-one is sourced from PubChem (CID 1201514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).