4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine

C12H16N2O — CID 67679183

IUPAC4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCCc1cnc(C(C)(C)C)c2ncoc12
InChIInChI=1S/C12H16N2O/c1-5-8-6-13-11(12(2,3)4)9-10(8)15-7-14-9/h6-7H,5H2,1-4H3
InChIKeyRRWRTCAWSLJPTH-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.08
Rot. Bonds1

About 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine

4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 67679183) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine
PubChem CID67679183
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine
SMILESCCc1cnc(C(C)(C)C)c2ncoc12
InChIInChI=1S/C12H16N2O/c1-5-8-6-13-11(12(2,3)4)9-10(8)15-7-14-9/h6-7H,5H2,1-4H3
InChIKeyRRWRTCAWSLJPTH-UHFFFAOYSA-N
XLogP3.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine (CID 67679183) is 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine is CCc1cnc(C(C)(C)C)c2ncoc12.
What is the InChIKey of 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is RRWRTCAWSLJPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-5-8-6-13-11(12(2,3)4)9-10(8)15-7-14-9/h6-7H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine?
4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 204.27 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-ethyl-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67679183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).