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

C13H7F2N3O3 — CID 53373685

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC1(F)Oc2ccc(Nc3noc4cccnc34)cc2O1
InChIInChI=1S/C13H7F2N3O3/c14-13(15)19-8-4-3-7(6-10(8)20-13)17-12-11-9(21-18-12)2-1-5-16-11/h1-6H,(H,17,18)
InChIKeyPSILGHAXPJJAMP-UHFFFAOYSA-N
MW291.21 g/mol
LogP3.29
Rot. Bonds2

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (PubChem CID 53373685) has the molecular formula C13H7F2N3O3 and a molecular weight of 291.21 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
PubChem CID53373685
Molecular FormulaC13H7F2N3O3
Molecular Weight291.21 g/mol
Exact Mass291.05
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine
SMILESFC1(F)Oc2ccc(Nc3noc4cccnc34)cc2O1
InChIInChI=1S/C13H7F2N3O3/c14-13(15)19-8-4-3-7(6-10(8)20-13)17-12-11-9(21-18-12)2-1-5-16-11/h1-6H,(H,17,18)
InChIKeyPSILGHAXPJJAMP-UHFFFAOYSA-N
XLogP3.29
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.21
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine (CID 53373685) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is FC1(F)Oc2ccc(Nc3noc4cccnc34)cc2O1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
The InChIKey is PSILGHAXPJJAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N3O3/c14-13(15)19-8-4-3-7(6-10(8)20-13)17-12-11-9(21-18-12)2-1-5-16-11/h1-6H,(H,17,18).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine has a molecular weight of 291.21 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2]oxazolo[4,5-b]pyridin-3-amine is sourced from PubChem (CID 53373685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).