3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine

C9H14N2O — CID 170079266

IUPAC3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
SMILESCC(C)c1onc2c1NCCC2
InChIInChI=1S/C9H14N2O/c1-6(2)9-8-7(11-12-9)4-3-5-10-8/h6,10H,3-5H2,1-2H3
InChIKeyDLIXEYGNDIFIMD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.16
Rot. Bonds1

About 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine

3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine (PubChem CID 170079266) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
PubChem CID170079266
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine
SMILESCC(C)c1onc2c1NCCC2
InChIInChI=1S/C9H14N2O/c1-6(2)9-8-7(11-12-9)4-3-5-10-8/h6,10H,3-5H2,1-2H3
InChIKeyDLIXEYGNDIFIMD-UHFFFAOYSA-N
XLogP2.16
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine (CID 170079266) is 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine.
What is the SMILES notation for 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The canonical SMILES for 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine is CC(C)c1onc2c1NCCC2.
What is the InChIKey of 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
The InChIKey is DLIXEYGNDIFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9-8-7(11-12-9)4-3-5-10-8/h6,10H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine?
3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine has a molecular weight of 166.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-b]pyridine is sourced from PubChem (CID 170079266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).