1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine

C6H6N2O — CID 58996089

IUPAC1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine
SMILESc1cc2c(cn1)OCN2
InChIInChI=1S/C6H6N2O/c1-2-7-3-6-5(1)8-4-9-6/h1-3,8H,4H2
InChIKeyBSNFXAWZSUARPE-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.84
Rot. Bonds

About 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine

1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 58996089) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine
PubChem CID58996089
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine
SMILESc1cc2c(cn1)OCN2
InChIInChI=1S/C6H6N2O/c1-2-7-3-6-5(1)8-4-9-6/h1-3,8H,4H2
InChIKeyBSNFXAWZSUARPE-UHFFFAOYSA-N
XLogP0.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine (CID 58996089) is 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine is c1cc2c(cn1)OCN2.
What is the InChIKey of 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is BSNFXAWZSUARPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c1-2-7-3-6-5(1)8-4-9-6/h1-3,8H,4H2.
What are the key properties of 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine?
1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 122.13 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydro-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 58996089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).