4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

C7H9N5O2 — CID 62805907

IUPAC4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1noc(-c2nonc2N)n1
InChIInChI=1S/C7H9N5O2/c1-3(2)6-9-7(13-12-6)4-5(8)11-14-10-4/h3H,1-2H3,(H2,8,11)
InChIKeyYUSHCWUFWDRRNE-UHFFFAOYSA-N
MW195.18 g/mol
LogP0.83
Rot. Bonds2

About 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine

4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62805907) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62805907
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESCC(C)c1noc(-c2nonc2N)n1
InChIInChI=1S/C7H9N5O2/c1-3(2)6-9-7(13-12-6)4-5(8)11-14-10-4/h3H,1-2H3,(H2,8,11)
InChIKeyYUSHCWUFWDRRNE-UHFFFAOYSA-N
XLogP0.83
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 62805907) is 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is CC(C)c1noc(-c2nonc2N)n1.
What is the InChIKey of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is YUSHCWUFWDRRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-3(2)6-9-7(13-12-6)4-5(8)11-14-10-4/h3H,1-2H3,(H2,8,11).
What are the key properties of 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 195.18 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62805907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).