3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine

C9H14N2O — CID 90695712

IUPAC3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
SMILESCCc1noc2c1N(C)CCC2
InChIInChI=1S/C9H14N2O/c1-3-7-9-8(12-10-7)5-4-6-11(9)2/h3-6H2,1-2H3
InChIKeyLHJCZYFTKJMFAB-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.62
Rot. Bonds1

About 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine

3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine (PubChem CID 90695712) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
PubChem CID90695712
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine
SMILESCCc1noc2c1N(C)CCC2
InChIInChI=1S/C9H14N2O/c1-3-7-9-8(12-10-7)5-4-6-11(9)2/h3-6H2,1-2H3
InChIKeyLHJCZYFTKJMFAB-UHFFFAOYSA-N
XLogP1.62
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine (CID 90695712) is 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine is CCc1noc2c1N(C)CCC2.
What is the InChIKey of 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
The InChIKey is LHJCZYFTKJMFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-7-9-8(12-10-7)5-4-6-11(9)2/h3-6H2,1-2H3.
What are the key properties of 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine?
3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine has a molecular weight of 166.22 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-6,7-dihydro-5H-[1,2]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 90695712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).