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

C10H8N4O4 — CID 47145770

IUPAC5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESCc1noc(Cn2nc(-c3ccco3)oc2=O)n1
InChIInChI=1S/C10H8N4O4/c1-6-11-8(18-13-6)5-14-10(15)17-9(12-14)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyHGRKNHPVWHSZNQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP0.84
Rot. Bonds3

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

5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one (PubChem CID 47145770) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
PubChem CID47145770
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC Name5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
SMILESCc1noc(Cn2nc(-c3ccco3)oc2=O)n1
InChIInChI=1S/C10H8N4O4/c1-6-11-8(18-13-6)5-14-10(15)17-9(12-14)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyHGRKNHPVWHSZNQ-UHFFFAOYSA-N
XLogP0.84
TPSA100.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one (CID 47145770) is 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one is Cc1noc(Cn2nc(-c3ccco3)oc2=O)n1.
What is the InChIKey of 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is HGRKNHPVWHSZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c1-6-11-8(18-13-6)5-14-10(15)17-9(12-14)7-3-2-4-16-7/h2-4H,5H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one?
5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 248.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 47145770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).