5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine

C11H13BrN4O — CID 171778054

IUPAC5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESBrc1ccc2oc(N[C@@H]3CCCNC3)nc2n1
InChIInChI=1S/C11H13BrN4O/c12-9-4-3-8-10(15-9)16-11(17-8)14-7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2,(H,14,15,16)/t7-/m1/s1
InChIKeyLWRMUJFREFWCRV-SSDOTTSWSA-N
MW297.16 g/mol
LogP2.15
Rot. Bonds2

About 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine

5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (PubChem CID 171778054) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
PubChem CID171778054
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESBrc1ccc2oc(N[C@@H]3CCCNC3)nc2n1
InChIInChI=1S/C11H13BrN4O/c12-9-4-3-8-10(15-9)16-11(17-8)14-7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2,(H,14,15,16)/t7-/m1/s1
InChIKeyLWRMUJFREFWCRV-SSDOTTSWSA-N
XLogP2.15
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 170156214
N-piperidin-3-yl-4,5,6,7-tetrahydro-1,3-benzoxazol-2-amine
CID 83838453
N-pyrrolidin-3-yl-1,3-benzoxazol-2-amine
CID 62381342
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093
N-piperidin-3-yl-1,3-oxazol-2-amine
CID 112709406
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
6-N-cyclobutyl-2-methyl-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 115266503
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
5-nitro-N-[(3S)-pyrrolidin-3-yl]-1,3-benzoxazol-2-amine;hydrochloride
CID 71635895
N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine
CID 71636466
6-bromo-3-piperidin-1-yl-N-piperidin-3-ylpyrazin-2-amine
CID 87371050
(3S)-N-[(6-bromo-3-pyridinyl)methyl]piperidin-3-amine;hydrochloride
CID 71636461

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (CID 171778054) is 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is Brc1ccc2oc(N[C@@H]3CCCNC3)nc2n1.
What is the InChIKey of 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The InChIKey is LWRMUJFREFWCRV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-9-4-3-8-10(15-9)16-11(17-8)14-7-2-1-5-13-6-7/h3-4,7,13H,1-2,5-6H2,(H,14,15,16)/t7-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine has a molecular weight of 297.16 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 171778054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).