5-methyl-[1,3]oxazolo[5,4-b]pyridine

C7H6N2O — CID 58957242

IUPAC5-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2ncoc2n1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6-7(9-5)10-4-8-6/h2-4H,1H3
InChIKeyZITKSQTZHDNQQH-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.53
Rot. Bonds

About 5-methyl-[1,3]oxazolo[5,4-b]pyridine

5-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58957242) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58957242
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name5-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2ncoc2n1
InChIInChI=1S/C7H6N2O/c1-5-2-3-6-7(9-5)10-4-8-6/h2-4H,1H3
InChIKeyZITKSQTZHDNQQH-UHFFFAOYSA-N
XLogP1.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 5-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 58957242) is 5-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 5-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc2ncoc2n1.
What is the InChIKey of 5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ZITKSQTZHDNQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c1-5-2-3-6-7(9-5)10-4-8-6/h2-4H,1H3.
What are the key properties of 5-methyl-[1,3]oxazolo[5,4-b]pyridine?
5-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 134.14 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58957242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).