2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine

C10H13N3O — CID 84663370

IUPAC2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
SMILESCC(C)(C)c1nc2nccc(N)c2o1
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-13-8-7(14-9)6(11)4-5-12-8/h4-5H,1-3H3,(H2,11,12)
InChIKeyKEJPGOBLNMKEDF-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.10
Rot. Bonds

About 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine

2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine (PubChem CID 84663370) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
PubChem CID84663370
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine
SMILESCC(C)(C)c1nc2nccc(N)c2o1
InChIInChI=1S/C10H13N3O/c1-10(2,3)9-13-8-7(14-9)6(11)4-5-12-8/h4-5H,1-3H3,(H2,11,12)
InChIKeyKEJPGOBLNMKEDF-UHFFFAOYSA-N
XLogP2.10
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine?
The IUPAC name of 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine (CID 84663370) is 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine?
The canonical SMILES for 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine is CC(C)(C)c1nc2nccc(N)c2o1.
What is the InChIKey of 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine?
The InChIKey is KEJPGOBLNMKEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)9-13-8-7(14-9)6(11)4-5-12-8/h4-5H,1-3H3,(H2,11,12).
What are the key properties of 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine?
2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine has a molecular weight of 191.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-[1,3]oxazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 84663370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).