7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one

C6H8N2O3 — CID 83479866

IUPAC7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=c1[nH]c2c(o1)CNCC2O
InChIInChI=1S/C6H8N2O3/c9-3-1-7-2-4-5(3)8-6(10)11-4/h3,7,9H,1-2H2,(H,8,10)
InChIKeyLILHLZIBRSPDJE-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.90
Rot. Bonds

About 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one

7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one (PubChem CID 83479866) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one.

Molecular Properties

Compound Name7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
PubChem CID83479866
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one
SMILESO=c1[nH]c2c(o1)CNCC2O
InChIInChI=1S/C6H8N2O3/c9-3-1-7-2-4-5(3)8-6(10)11-4/h3,7,9H,1-2H2,(H,8,10)
InChIKeyLILHLZIBRSPDJE-UHFFFAOYSA-N
XLogP-0.90
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The IUPAC name of 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one (CID 83479866) is 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one.
What is the SMILES notation for 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The canonical SMILES for 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one is O=c1[nH]c2c(o1)CNCC2O.
What is the InChIKey of 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
The InChIKey is LILHLZIBRSPDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c9-3-1-7-2-4-5(3)8-6(10)11-4/h3,7,9H,1-2H2,(H,8,10).
What are the key properties of 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one?
7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one has a molecular weight of 156.14 g/mol, XLogP of -0.90, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,5,6,7-tetrahydro-1H-[1,3]oxazolo[5,4-c]pyridin-2-one is sourced from PubChem (CID 83479866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).