6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

C9H6N2O3 — CID 169485161

IUPAC6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(C#CCO)cc2o1
InChIInChI=1S/C9H6N2O3/c12-3-1-2-6-4-7-8(10-5-6)11-9(13)14-7/h4-5,12H,3H2,(H,10,11,13)
InChIKeyXXUKGUUPWGHRDZ-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.14
Rot. Bonds

About 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one

6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 169485161) has the molecular formula C9H6N2O3 and a molecular weight of 190.16 g/mol. Its IUPAC name is 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
PubChem CID169485161
Molecular FormulaC9H6N2O3
Molecular Weight190.16 g/mol
Exact Mass190.04
IUPAC Name6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(C#CCO)cc2o1
InChIInChI=1S/C9H6N2O3/c12-3-1-2-6-4-7-8(10-5-6)11-9(13)14-7/h4-5,12H,3H2,(H,10,11,13)
InChIKeyXXUKGUUPWGHRDZ-UHFFFAOYSA-N
XLogP-0.14
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 169485161) is 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(C#CCO)cc2o1.
What is the InChIKey of 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
The InChIKey is XXUKGUUPWGHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3/c12-3-1-2-6-4-7-8(10-5-6)11-9(13)14-7/h4-5,12H,3H2,(H,10,11,13).
What are the key properties of 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one?
6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 190.16 g/mol, XLogP of -0.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyprop-1-ynyl)-3H-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 169485161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).