6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C11H14N4O2 — CID 115040087

IUPAC6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESNc1cc2[nH]c(=O)oc2nc1C1CCNCC1
InChIInChI=1S/C11H14N4O2/c12-7-5-8-10(17-11(16)14-8)15-9(7)6-1-3-13-4-2-6/h5-6,13H,1-4,12H2,(H,14,16)
InChIKeyBNXFRQBAXGMPRH-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.57
Rot. Bonds1

About 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 115040087) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID115040087
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESNc1cc2[nH]c(=O)oc2nc1C1CCNCC1
InChIInChI=1S/C11H14N4O2/c12-7-5-8-10(17-11(16)14-8)15-9(7)6-1-3-13-4-2-6/h5-6,13H,1-4,12H2,(H,14,16)
InChIKeyBNXFRQBAXGMPRH-UHFFFAOYSA-N
XLogP0.57
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 115040087) is 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is Nc1cc2[nH]c(=O)oc2nc1C1CCNCC1.
What is the InChIKey of 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is BNXFRQBAXGMPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-7-5-8-10(17-11(16)14-8)15-9(7)6-1-3-13-4-2-6/h5-6,13H,1-4,12H2,(H,14,16).
What are the key properties of 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 115040087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).