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

C11H9N5O2 — CID 62808217

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H9N5O2/c12-10-9(15-18-16-10)11-13-8(14-17-11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)
InChIKeyZGMFHGMKMINJDF-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.29
Rot. Bonds3

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

4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62808217) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62808217
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H9N5O2/c12-10-9(15-18-16-10)11-13-8(14-17-11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)
InChIKeyZGMFHGMKMINJDF-UHFFFAOYSA-N
XLogP1.29
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 62808217) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(Cc2ccccc2)no1.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is ZGMFHGMKMINJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-10-9(15-18-16-10)11-13-8(14-17-11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16).
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 243.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62808217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).