4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

C6H8N2O — CID 55263451

IUPAC4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESc1nc2c(o1)CCNC2
InChIInChI=1S/C6H8N2O/c1-2-7-3-5-6(1)9-4-8-5/h4,7H,1-3H2
InChIKeyWWPXGTUOSHOGOL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.32
Rot. Bonds

About 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 55263451) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
PubChem CID55263451
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
SMILESc1nc2c(o1)CCNC2
InChIInChI=1S/C6H8N2O/c1-2-7-3-5-6(1)9-4-8-5/h4,7H,1-3H2
InChIKeyWWPXGTUOSHOGOL-UHFFFAOYSA-N
XLogP0.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine (CID 55263451) is 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is c1nc2c(o1)CCNC2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is WWPXGTUOSHOGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-2-7-3-5-6(1)9-4-8-5/h4,7H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine?
4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 124.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 55263451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).