5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C9H14N2O — CID 67986580

IUPAC5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2oncc2C1
InChIInChI=1S/C9H14N2O/c1-7(2)11-4-3-9-8(6-11)5-10-12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyQBYMWNUILJJRDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.44
Rot. Bonds1

About 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 67986580) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID67986580
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)N1CCc2oncc2C1
InChIInChI=1S/C9H14N2O/c1-7(2)11-4-3-9-8(6-11)5-10-12-9/h5,7H,3-4,6H2,1-2H3
InChIKeyQBYMWNUILJJRDZ-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 67986580) is 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is CC(C)N1CCc2oncc2C1.
What is the InChIKey of 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is QBYMWNUILJJRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7(2)11-4-3-9-8(6-11)5-10-12-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 166.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 67986580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).