2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine

C9H12N4O — CID 83830096

IUPAC2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccnc2oncc12
InChIInChI=1S/C9H12N4O/c1-6(4-10)13-8-2-3-11-9-7(8)5-12-14-9/h2-3,5-6H,4,10H2,1H3,(H,11,13)
InChIKeyGLUBYQARMNLVTB-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.98
Rot. Bonds3

About 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine

2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine (PubChem CID 83830096) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
PubChem CID83830096
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
SMILESCC(CN)Nc1ccnc2oncc12
InChIInChI=1S/C9H12N4O/c1-6(4-10)13-8-2-3-11-9-7(8)5-12-14-9/h2-3,5-6H,4,10H2,1H3,(H,11,13)
InChIKeyGLUBYQARMNLVTB-UHFFFAOYSA-N
XLogP0.98
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 83830095
2-N-methyl-2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine
CID 112709969
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
2-methyl-2-([1,2]oxazolo[5,4-b]pyridin-4-ylamino)propanoic acid
CID 83838108
4-chloro-[1,2]oxazolo[5,4-b]pyridine
CID 82416459
3-N-quinolin-4-ylbutane-1,3-diamine
CID 83179618
[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 66692211
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
2-N-(2,5-dimethyl-4-pyridinyl)propane-1,2-diamine
CID 83828103
2-N-(3-methyl-[1,2]oxazolo[4,5-c]pyridin-4-yl)propane-1,2-diamine
CID 83833377
2-N-(2-ethoxy-3-pyridinyl)propane-1,2-diamine
CID 103388376
2-N-(4-bromonaphthalen-1-yl)propane-1,2-diamine
CID 103390813

Frequently Asked Questions

What is the IUPAC name of 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine?
The IUPAC name of 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine (CID 83830096) is 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine is CC(CN)Nc1ccnc2oncc12.
What is the InChIKey of 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine?
The InChIKey is GLUBYQARMNLVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6(4-10)13-8-2-3-11-9-7(8)5-12-14-9/h2-3,5-6H,4,10H2,1H3,(H,11,13).
What are the key properties of 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine?
2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine has a molecular weight of 192.22 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-([1,2]oxazolo[5,4-b]pyridin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 83830096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).