2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

C12H16N2O — CID 59820243

IUPAC2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1cc2oc(C(C)C)nc2cn1
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4/h5-8H,1-4H3
InChIKeyOAJBPXWQQPAHJW-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.47
Rot. Bonds2

About 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 59820243) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID59820243
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1cc2oc(C(C)C)nc2cn1
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4/h5-8H,1-4H3
InChIKeyOAJBPXWQQPAHJW-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 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (CID 59820243) is 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is CC(C)c1cc2oc(C(C)C)nc2cn1.
What is the InChIKey of 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is OAJBPXWQQPAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)9-5-11-10(6-13-9)14-12(15-11)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]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 2,6-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 59820243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).