3H-[1,3]oxazolo[3,4-a]pyridine

C7H7NO — CID 18442746

IUPAC3H-[1,3]oxazolo[3,4-a]pyridine
SMILESC1=CC2=COCN2C=C1
InChIInChI=1S/C7H7NO/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2
InChIKeyIAPUWKSUCGOUKY-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.20
Rot. Bonds

About 3H-[1,3]oxazolo[3,4-a]pyridine

3H-[1,3]oxazolo[3,4-a]pyridine (PubChem CID 18442746) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 3H-[1,3]oxazolo[3,4-a]pyridine.

Molecular Properties

Compound Name3H-[1,3]oxazolo[3,4-a]pyridine
PubChem CID18442746
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name3H-[1,3]oxazolo[3,4-a]pyridine
SMILESC1=CC2=COCN2C=C1
InChIInChI=1S/C7H7NO/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2
InChIKeyIAPUWKSUCGOUKY-UHFFFAOYSA-N
XLogP1.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-[1,3]oxazolo[3,4-a]pyridine?
The IUPAC name of 3H-[1,3]oxazolo[3,4-a]pyridine (CID 18442746) is 3H-[1,3]oxazolo[3,4-a]pyridine.
What is the SMILES notation for 3H-[1,3]oxazolo[3,4-a]pyridine?
The canonical SMILES for 3H-[1,3]oxazolo[3,4-a]pyridine is C1=CC2=COCN2C=C1.
What is the InChIKey of 3H-[1,3]oxazolo[3,4-a]pyridine?
The InChIKey is IAPUWKSUCGOUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c1-2-4-8-6-9-5-7(8)3-1/h1-5H,6H2.
What are the key properties of 3H-[1,3]oxazolo[3,4-a]pyridine?
3H-[1,3]oxazolo[3,4-a]pyridine has a molecular weight of 121.14 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-[1,3]oxazolo[3,4-a]pyridine is sourced from PubChem (CID 18442746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).