pyrazolo[5,1-b][1,3]oxazole-3,6-diamine

C5H6N4O — CID 21107744

IUPACpyrazolo[5,1-b][1,3]oxazole-3,6-diamine
SMILESNc1cc2occ(N)n2n1
InChIInChI=1S/C5H6N4O/c6-3-1-5-9(8-3)4(7)2-10-5/h1-2H,7H2,(H2,6,8)
InChIKeyYCBHTQQIRWTQRY-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.09
Rot. Bonds

About pyrazolo[5,1-b][1,3]oxazole-3,6-diamine

pyrazolo[5,1-b][1,3]oxazole-3,6-diamine (PubChem CID 21107744) has the molecular formula C5H6N4O and a molecular weight of 138.13 g/mol. Its IUPAC name is pyrazolo[5,1-b][1,3]oxazole-3,6-diamine.

Molecular Properties

Compound Namepyrazolo[5,1-b][1,3]oxazole-3,6-diamine
PubChem CID21107744
Molecular FormulaC5H6N4O
Molecular Weight138.13 g/mol
Exact Mass138.05
IUPAC Namepyrazolo[5,1-b][1,3]oxazole-3,6-diamine
SMILESNc1cc2occ(N)n2n1
InChIInChI=1S/C5H6N4O/c6-3-1-5-9(8-3)4(7)2-10-5/h1-2H,7H2,(H2,6,8)
InChIKeyYCBHTQQIRWTQRY-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 pyrazolo[5,1-b][1,3]oxazole-3,6-diamine?
The IUPAC name of pyrazolo[5,1-b][1,3]oxazole-3,6-diamine (CID 21107744) is pyrazolo[5,1-b][1,3]oxazole-3,6-diamine.
What is the SMILES notation for pyrazolo[5,1-b][1,3]oxazole-3,6-diamine?
The canonical SMILES for pyrazolo[5,1-b][1,3]oxazole-3,6-diamine is Nc1cc2occ(N)n2n1.
What is the InChIKey of pyrazolo[5,1-b][1,3]oxazole-3,6-diamine?
The InChIKey is YCBHTQQIRWTQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O/c6-3-1-5-9(8-3)4(7)2-10-5/h1-2H,7H2,(H2,6,8).
What are the key properties of pyrazolo[5,1-b][1,3]oxazole-3,6-diamine?
pyrazolo[5,1-b][1,3]oxazole-3,6-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 pyrazolo[5,1-b][1,3]oxazole-3,6-diamine is sourced from PubChem (CID 21107744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).