3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine

C8H8N2O — CID 58047399

IUPAC3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1cc2onc(C)c2cn1
InChIInChI=1S/C8H8N2O/c1-5-3-8-7(4-9-5)6(2)10-11-8/h3-4H,1-2H3
InChIKeyXZKUJFLNZHSWDC-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.84
Rot. Bonds

About 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine

3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 58047399) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID58047399
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine
SMILESCc1cc2onc(C)c2cn1
InChIInChI=1S/C8H8N2O/c1-5-3-8-7(4-9-5)6(2)10-11-8/h3-4H,1-2H3
InChIKeyXZKUJFLNZHSWDC-UHFFFAOYSA-N
XLogP1.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine (CID 58047399) is 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine is Cc1cc2onc(C)c2cn1.
What is the InChIKey of 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is XZKUJFLNZHSWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-5-3-8-7(4-9-5)6(2)10-11-8/h3-4H,1-2H3.
What are the key properties of 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine?
3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 148.16 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58047399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).