imidazo[5,1-b][1,3]oxazole-3,5-diamine

C5H6N4O — CID 21107701

IUPACimidazo[5,1-b][1,3]oxazole-3,5-diamine
SMILESNc1coc2cnc(N)n12
InChIInChI=1S/C5H6N4O/c6-3-2-10-4-1-8-5(7)9(3)4/h1-2H,6H2,(H2,7,8)
InChIKeyYXKUIAGSYRVTAZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.09
Rot. Bonds

About imidazo[5,1-b][1,3]oxazole-3,5-diamine

imidazo[5,1-b][1,3]oxazole-3,5-diamine (PubChem CID 21107701) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is imidazo[5,1-b][1,3]oxazole-3,5-diamine.

Molecular Properties

Compound Nameimidazo[5,1-b][1,3]oxazole-3,5-diamine
PubChem CID21107701
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Nameimidazo[5,1-b][1,3]oxazole-3,5-diamine
SMILESNc1coc2cnc(N)n12
InChIInChI=1S/C5H6N4O/c6-3-2-10-4-1-8-5(7)9(3)4/h1-2H,6H2,(H2,7,8)
InChIKeyYXKUIAGSYRVTAZ-UHFFFAOYSA-N
XLogP0.09
TPSA82.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazo[5,1-b][1,3]oxazole-3,5-diamine?
The IUPAC name of imidazo[5,1-b][1,3]oxazole-3,5-diamine (CID 21107701) is imidazo[5,1-b][1,3]oxazole-3,5-diamine.
What is the SMILES notation for imidazo[5,1-b][1,3]oxazole-3,5-diamine?
The canonical SMILES for imidazo[5,1-b][1,3]oxazole-3,5-diamine is Nc1coc2cnc(N)n12.
What is the InChIKey of imidazo[5,1-b][1,3]oxazole-3,5-diamine?
The InChIKey is YXKUIAGSYRVTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-3-2-10-4-1-8-5(7)9(3)4/h1-2H,6H2,(H2,7,8).
What are the key properties of imidazo[5,1-b][1,3]oxazole-3,5-diamine?
imidazo[5,1-b][1,3]oxazole-3,5-diamine has a molecular weight of 138.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[5,1-b][1,3]oxazole-3,5-diamine is sourced from PubChem (CID 21107701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).