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

C13H9N3O3 — CID 53375206

IUPACN-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1
InChIInChI=1S/C13H9N3O3/c1-2-10-12(14-5-1)13(16-19-10)15-8-3-4-9-11(6-8)18-7-17-9/h1-6H,7H2,(H,15,16)
InChIKeyDXJGBDVDVCNQAM-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.70
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53375206) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53375206
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC NameN-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESc1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1
InChIInChI=1S/C13H9N3O3/c1-2-10-12(14-5-1)13(16-19-10)15-8-3-4-9-11(6-8)18-7-17-9/h1-6H,7H2,(H,15,16)
InChIKeyDXJGBDVDVCNQAM-UHFFFAOYSA-N
XLogP2.70
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
6-N-(1,3-benzodioxol-5-yl)-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 23480603
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
5-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109200730
N-(1,3-benzodioxol-5-yl)-3-bromo-5-chloropyridin-2-amine
CID 114836575
N-(1,3-benzodioxol-5-yl)-6-hydrazinylpyridin-2-amine
CID 80920460
N-(1,3-benzodioxol-5-yl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 71453129
6-N-(1,3-benzodioxol-5-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542032
N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3,4-dimethylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-fluoro-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-(3-methoxy-4-methylphenyl)-[1,2]oxazolo[4,5-b]pyridin-3-amine;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-[1,2]oxazolo[4,5-b]pyridin-3-amine;1-[3-([1,2]oxazolo[4,5-b]pyridin-3-ylamino)phenyl]ethanone
CID 158723946
N-(1,3-benzodioxol-5-yl)-2-hydrazinylpyridine-3-sulfonamide
CID 43456605
N'-[(1R,2S)-2-aminocyclohexyl]-2-(1,3-benzodioxol-5-ylamino)pyridine-3-carbohydrazide
CID 123982860
6-(1,3-benzodioxol-5-ylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109359721

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53375206) is N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is c1cnc2c(Nc3ccc4c(c3)OCO4)noc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is DXJGBDVDVCNQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c1-2-10-12(14-5-1)13(16-19-10)15-8-3-4-9-11(6-8)18-7-17-9/h1-6H,7H2,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 255.23 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53375206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).