2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine

C6H7N5O2 — CID 106425008

IUPAC2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCc2ccno2)o1
InChIInChI=1S/C6H7N5O2/c7-5-10-11-6(12-5)8-3-4-1-2-9-13-4/h1-2H,3H2,(H2,7,10)(H,8,11)
InChIKeyXPIZMXQSGOYGKU-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.25
Rot. Bonds3

About 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 106425008) has the molecular formula C6H7N5O2 and a molecular weight of 181.16 g/mol. Its IUPAC name is 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID106425008
Molecular FormulaC6H7N5O2
Molecular Weight181.16 g/mol
Exact Mass181.06
IUPAC Name2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine
SMILESNc1nnc(NCc2ccno2)o1
InChIInChI=1S/C6H7N5O2/c7-5-10-11-6(12-5)8-3-4-1-2-9-13-4/h1-2H,3H2,(H2,7,10)(H,8,11)
InChIKeyXPIZMXQSGOYGKU-UHFFFAOYSA-N
XLogP0.25
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine (CID 106425008) is 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine is Nc1nnc(NCc2ccno2)o1.
What is the InChIKey of 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is XPIZMXQSGOYGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O2/c7-5-10-11-6(12-5)8-3-4-1-2-9-13-4/h1-2H,3H2,(H2,7,10)(H,8,11).
What are the key properties of 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 181.16 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,2-oxazol-5-ylmethyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 106425008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).