3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

C10H10N4O5 — CID 103971524

IUPAC3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2nc(C3COCCN3)no2)o1
InChIInChI=1S/C10H10N4O5/c15-14(16)8-2-1-7(18-8)10-12-9(13-19-10)6-5-17-4-3-11-6/h1-2,6,11H,3-5H2
InChIKeySCZXQHVBMKUFKC-UHFFFAOYSA-N
MW266.21 g/mol
LogP0.90
Rot. Bonds3

About 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine

3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 103971524) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID103971524
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESO=[N+]([O-])c1ccc(-c2nc(C3COCCN3)no2)o1
InChIInChI=1S/C10H10N4O5/c15-14(16)8-2-1-7(18-8)10-12-9(13-19-10)6-5-17-4-3-11-6/h1-2,6,11H,3-5H2
InChIKeySCZXQHVBMKUFKC-UHFFFAOYSA-N
XLogP0.90
TPSA116.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 103971524) is 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is O=[N+]([O-])c1ccc(-c2nc(C3COCCN3)no2)o1.
What is the InChIKey of 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is SCZXQHVBMKUFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c15-14(16)8-2-1-7(18-8)10-12-9(13-19-10)6-5-17-4-3-11-6/h1-2,6,11H,3-5H2.
What are the key properties of 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine?
3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 266.21 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 103971524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).