N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine

C8H9FN4O — CID 155161516

IUPACN'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine
SMILESNCCNc1nc2cc(F)cnc2o1
InChIInChI=1S/C8H9FN4O/c9-5-3-6-7(12-4-5)14-8(13-6)11-2-1-10/h3-4H,1-2,10H2,(H,11,13)
InChIKeyPCGQLGAIZCBHOT-UHFFFAOYSA-N
MW196.19 g/mol
LogP0.73
Rot. Bonds3

About N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine

N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine (PubChem CID 155161516) has the molecular formula C8H9FN4O and a molecular weight of 196.19 g/mol. Its IUPAC name is N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine
PubChem CID155161516
Molecular FormulaC8H9FN4O
Molecular Weight196.19 g/mol
Exact Mass196.08
IUPAC NameN'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine
SMILESNCCNc1nc2cc(F)cnc2o1
InChIInChI=1S/C8H9FN4O/c9-5-3-6-7(12-4-5)14-8(13-6)11-2-1-10/h3-4H,1-2,10H2,(H,11,13)
InChIKeyPCGQLGAIZCBHOT-UHFFFAOYSA-N
XLogP0.73
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Oxazolo[5,4-b]pyridin-2-yl-1,4-diazabicyclo[3.2.2]nonane
CID 11447932
cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(oxazolo[5,4-b]pyridin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 11596607
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 44555284
2-(6-Chlorooxazolo[5,4-b]pyridin-2-yl)-2,5-diazabicyclo[3.2.2]-nonane
CID 46180746
5-(5-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)-N-methylpyridin-2-amine
CID 58220153
US9790220, Example 7
CID 118326433
Oxazolo[5,4-b]pyridin-2-amine
CID 18671456
2-Chlorooxazolo[5,4-b]pyridine
CID 57370272
(1,3)Oxazolo(5,4-b)pyridine
CID 19831830
N-(Pyridin-2-yl)benzo[d]oxazol-2-amine
CID 2305838
2-Methyloxazolo[5,4-b]pyridine
CID 13260645
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-benzoxazol-2-amine
CID 9925028

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine (CID 155161516) is N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine is NCCNc1nc2cc(F)cnc2o1.
What is the InChIKey of N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine?
The InChIKey is PCGQLGAIZCBHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c9-5-3-6-7(12-4-5)14-8(13-6)11-2-1-10/h3-4H,1-2,10H2,(H,11,13).
What are the key properties of N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine?
N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine has a molecular weight of 196.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-[1,3]oxazolo[5,4-b]pyridin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 155161516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).