6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine

C10H14N2O — CID 172518020

IUPAC6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine
SMILESCC(C)(C)C1=CN2N=COC2C=C1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-5-9-12(6-8)11-7-13-9/h4-7,9H,1-3H3
InChIKeyQVAYECRBMJDXHQ-UHFFFAOYSA-N
MW178.24 g/mol
LogP2.09
Rot. Bonds

About 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine

6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine (PubChem CID 172518020) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine
PubChem CID172518020
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine
SMILESCC(C)(C)C1=CN2N=COC2C=C1
InChIInChI=1S/C10H14N2O/c1-10(2,3)8-4-5-9-12(6-8)11-7-13-9/h4-7,9H,1-3H3
InChIKeyQVAYECRBMJDXHQ-UHFFFAOYSA-N
XLogP2.09
TPSA24.83 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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine?
The IUPAC name of 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine (CID 172518020) is 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine.
What is the SMILES notation for 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine?
The canonical SMILES for 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine is CC(C)(C)C1=CN2N=COC2C=C1.
What is the InChIKey of 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine?
The InChIKey is QVAYECRBMJDXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)8-4-5-9-12(6-8)11-7-13-9/h4-7,9H,1-3H3.
What are the key properties of 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine?
6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine has a molecular weight of 178.24 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8aH-[1,3,4]oxadiazolo[3,2-a]pyridine is sourced from PubChem (CID 172518020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).