4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

C12H16N2O — CID 58531190

IUPAC4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1ncc(C(C)C)c2ocnc12
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11/h5-8H,1-4H3
InChIKeyUYCYRDXYIDXFAB-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.47
Rot. Bonds2

About 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine

4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 58531190) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
PubChem CID58531190
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine
SMILESCC(C)c1ncc(C(C)C)c2ocnc12
InChIInChI=1S/C12H16N2O/c1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11/h5-8H,1-4H3
InChIKeyUYCYRDXYIDXFAB-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 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine (CID 58531190) is 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is CC(C)c1ncc(C(C)C)c2ocnc12.
What is the InChIKey of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is UYCYRDXYIDXFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7(2)9-5-13-10(8(3)4)11-12(9)15-6-14-11/h5-8H,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine?
4,7-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 4,7-di(propan-2-yl)-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 58531190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).