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

C9H11N5O2 — CID 62807856

IUPAC4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C2CCCC2)no1
InChIInChI=1S/C9H11N5O2/c10-7-6(12-16-13-7)9-11-8(14-15-9)5-3-1-2-4-5/h5H,1-4H2,(H2,10,13)
InChIKeyCINNNWVYJRZRAV-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.36
Rot. Bonds2

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

4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 62807856) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
PubChem CID62807856
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(C2CCCC2)no1
InChIInChI=1S/C9H11N5O2/c10-7-6(12-16-13-7)9-11-8(14-15-9)5-3-1-2-4-5/h5H,1-4H2,(H2,10,13)
InChIKeyCINNNWVYJRZRAV-UHFFFAOYSA-N
XLogP1.36
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine (CID 62807856) is 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(C2CCCC2)no1.
What is the InChIKey of 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is CINNNWVYJRZRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c10-7-6(12-16-13-7)9-11-8(14-15-9)5-3-1-2-4-5/h5H,1-4H2,(H2,10,13).
What are the key properties of 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine?
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 221.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).