3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine

C12H16N2O — CID 121384031

IUPAC3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCC(C)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-10-11(8(3)4)14-15-12(10)13-6-9/h5-8H,1-4H3
InChIKeyRMFWNNHEZIQSTQ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.47
Rot. Bonds2

About 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine

3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 121384031) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
PubChem CID121384031
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine
SMILESCC(C)c1cnc2onc(C(C)C)c2c1
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-10-11(8(3)4)14-15-12(10)13-6-9/h5-8H,1-4H3
InChIKeyRMFWNNHEZIQSTQ-UHFFFAOYSA-N
XLogP3.47
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine (CID 121384031) is 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine is CC(C)c1cnc2onc(C(C)C)c2c1.
What is the InChIKey of 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is RMFWNNHEZIQSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)9-5-10-11(8(3)4)14-15-12(10)13-6-9/h5-8H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine?
3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 204.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 121384031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).