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

C13H20N2O — CID 170522513

IUPAC4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1ncc(C(C)C)c2c1OCN2C(C)C
InChIInChI=1S/C13H20N2O/c1-8(2)11-6-14-10(5)13-12(11)15(7-16-13)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyCJSBPYKTQWVEPQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP3.08
Rot. Bonds2

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

4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 170522513) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID170522513
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine
SMILESCc1ncc(C(C)C)c2c1OCN2C(C)C
InChIInChI=1S/C13H20N2O/c1-8(2)11-6-14-10(5)13-12(11)15(7-16-13)9(3)4/h6,8-9H,7H2,1-5H3
InChIKeyCJSBPYKTQWVEPQ-UHFFFAOYSA-N
XLogP3.08
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine (CID 170522513) is 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine is Cc1ncc(C(C)C)c2c1OCN2C(C)C.
What is the InChIKey of 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is CJSBPYKTQWVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-8(2)11-6-14-10(5)13-12(11)15(7-16-13)9(3)4/h6,8-9H,7H2,1-5H3.
What are the key properties of 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine?
4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 220.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,7-di(propan-2-yl)-2H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 170522513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).