3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine

C9H10N2O — CID 58784017

IUPAC3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)c1noc2ccncc12
InChIInChI=1S/C9H10N2O/c1-6(2)9-7-5-10-4-3-8(7)12-11-9/h3-6H,1-2H3
InChIKeyQBUDHRXWGOBQFX-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.35
Rot. Bonds1

About 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine

3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 58784017) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine
PubChem CID58784017
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine
SMILESCC(C)c1noc2ccncc12
InChIInChI=1S/C9H10N2O/c1-6(2)9-7-5-10-4-3-8(7)12-11-9/h3-6H,1-2H3
InChIKeyQBUDHRXWGOBQFX-UHFFFAOYSA-N
XLogP2.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine (CID 58784017) is 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine is CC(C)c1noc2ccncc12.
What is the InChIKey of 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is QBUDHRXWGOBQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6(2)9-7-5-10-4-3-8(7)12-11-9/h3-6H,1-2H3.
What are the key properties of 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine?
3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 162.19 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58784017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).