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

C13H17BrN4O — CID 170156214

IUPAC5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCCN1CCC[C@@H](Nc2nc3nc(Br)ccc3o2)C1
InChIInChI=1S/C13H17BrN4O/c1-2-18-7-3-4-9(8-18)15-13-17-12-10(19-13)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,17)/t9-/m1/s1
InChIKeyJEXREUNBQHUVPH-SECBINFHSA-N
MW325.21 g/mol
LogP2.88
Rot. Bonds3

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

5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (PubChem CID 170156214) has the molecular formula C13H17BrN4O and a molecular weight of 325.21 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
PubChem CID170156214
Molecular FormulaC13H17BrN4O
Molecular Weight325.21 g/mol
Exact Mass324.06
IUPAC Name5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
SMILESCCN1CCC[C@@H](Nc2nc3nc(Br)ccc3o2)C1
InChIInChI=1S/C13H17BrN4O/c1-2-18-7-3-4-9(8-18)15-13-17-12-10(19-13)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,17)/t9-/m1/s1
InChIKeyJEXREUNBQHUVPH-SECBINFHSA-N
XLogP2.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
CID 170157555
5-chloro-2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-3-methylphenol
CID 170156057
5-bromo-N-[(3R)-piperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778054
5-chloro-N-[(3R)-1-methylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 171778093
3-chloro-2-[2-[(1-ethylpiperidin-3-yl)amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluorophenol;2,2,2-trifluoroacetic acid
CID 175895007
(3S,5R)-5-[(5-bromo-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-methylpiperidin-3-ol
CID 171778115
5-[4-chloro-2-phenylmethoxy-6-(trifluoromethoxy)phenyl]-N-(1-ethylpiperidin-3-yl)-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 170172928
N-(1-ethylpiperidin-3-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 102677438
3-chloro-4-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-hydroxybenzonitrile;2,2,2-trifluoroacetic acid
CID 170157713
(3R,5R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
CID 171777991
(3R)-5-[(5-chloro-[1,3]oxazolo[4,5-b]pyridin-2-yl)amino]-1-ethylpiperidin-3-ol
CID 175586005
N-(1-ethylpiperidin-3-yl)-2-methylpyrimidin-4-amine
CID 62786064

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine (CID 170156214) is 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is CCN1CCC[C@@H](Nc2nc3nc(Br)ccc3o2)C1.
What is the InChIKey of 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
The InChIKey is JEXREUNBQHUVPH-SECBINFHSA-N. The full InChI is InChI=1S/C13H17BrN4O/c1-2-18-7-3-4-9(8-18)15-13-17-12-10(19-13)5-6-11(14)16-12/h5-6,9H,2-4,7-8H2,1H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine?
5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine has a molecular weight of 325.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-1-ethylpiperidin-3-yl]-[1,3]oxazolo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 170156214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).