4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

C12H16N2O — CID 58519669

IUPAC4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1nc(C)c2oc(C(C)C)nc2c1C
InChIInChI=1S/C12H16N2O/c1-6(2)12-14-10-7(3)8(4)13-9(5)11(10)15-12/h6H,1-5H3
InChIKeyGEKDXPQXQVMLDL-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.27
Rot. Bonds1

About 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine

4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 58519669) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
PubChem CID58519669
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1nc(C)c2oc(C(C)C)nc2c1C
InChIInChI=1S/C12H16N2O/c1-6(2)12-14-10-7(3)8(4)13-9(5)11(10)15-12/h6H,1-5H3
InChIKeyGEKDXPQXQVMLDL-UHFFFAOYSA-N
XLogP3.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine (CID 58519669) is 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is Cc1nc(C)c2oc(C(C)C)nc2c1C.
What is the InChIKey of 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is GEKDXPQXQVMLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-6(2)12-14-10-7(3)8(4)13-9(5)11(10)15-12/h6H,1-5H3.
What are the key properties of 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine?
4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 204.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-2-propan-2-yl-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 58519669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).