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

C11H14N2O — CID 82337943

IUPAC2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C(C)(C)C)oc2n1
InChIInChI=1S/C11H14N2O/c1-7-5-6-8-9(12-7)14-10(13-8)11(2,3)4/h5-6H,1-4H3
InChIKeyBDVAHHKHKJCQFE-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.83
Rot. Bonds

About 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine

2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 82337943) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID82337943
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1ccc2nc(C(C)(C)C)oc2n1
InChIInChI=1S/C11H14N2O/c1-7-5-6-8-9(12-7)14-10(13-8)11(2,3)4/h5-6H,1-4H3
InChIKeyBDVAHHKHKJCQFE-UHFFFAOYSA-N
XLogP2.83
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine (CID 82337943) is 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine is Cc1ccc2nc(C(C)(C)C)oc2n1.
What is the InChIKey of 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BDVAHHKHKJCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-6-8-9(12-7)14-10(13-8)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine?
2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 190.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 82337943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).