4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

C8H5N5O3 — CID 62807324

IUPAC4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C8H5N5O3/c9-6-5(11-16-12-6)8-10-7(13-15-8)4-2-1-3-14-4/h1-3H,(H2,9,12)
InChIKeyRCJTVYQHYZXNCU-UHFFFAOYSA-N
MW219.16 g/mol
LogP0.96
Rot. Bonds2

About 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 62807324) has the molecular formula C8H5N5O3 and a molecular weight of 219.16 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
PubChem CID62807324
Molecular FormulaC8H5N5O3
Molecular Weight219.16 g/mol
Exact Mass219.04
IUPAC Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C8H5N5O3/c9-6-5(11-16-12-6)8-10-7(13-15-8)4-2-1-3-14-4/h1-3H,(H2,9,12)
InChIKeyRCJTVYQHYZXNCU-UHFFFAOYSA-N
XLogP0.96
TPSA117.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine (CID 62807324) is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc(-c2ccco2)no1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is RCJTVYQHYZXNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5O3/c9-6-5(11-16-12-6)8-10-7(13-15-8)4-2-1-3-14-4/h1-3H,(H2,9,12).
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine?
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 219.16 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62807324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).