1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine

C10H14N2O — CID 140914125

IUPAC1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)(C)N1COc2cnccc21
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-7-13-9-6-11-5-4-8(9)12/h4-6H,7H2,1-3H3
InChIKeyJRXMWVGYTQYOME-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.04
Rot. Bonds

About 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine

1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 140914125) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine
PubChem CID140914125
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine
SMILESCC(C)(C)N1COc2cnccc21
InChIInChI=1S/C10H14N2O/c1-10(2,3)12-7-13-9-6-11-5-4-8(9)12/h4-6H,7H2,1-3H3
InChIKeyJRXMWVGYTQYOME-UHFFFAOYSA-N
XLogP2.04
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine (CID 140914125) is 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine is CC(C)(C)N1COc2cnccc21.
What is the InChIKey of 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is JRXMWVGYTQYOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)12-7-13-9-6-11-5-4-8(9)12/h4-6H,7H2,1-3H3.
What are the key properties of 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine?
1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 178.24 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 140914125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).