2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone

C11H11N3O3 — CID 3323368

IUPAC2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2nonc2c1)N1CCOCC1
InChIInChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2
InChIKeyKFRQROSRKSVROW-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.70
Rot. Bonds1

About 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone

2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone (PubChem CID 3323368) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone
PubChem CID3323368
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone
SMILESO=C(c1ccc2nonc2c1)N1CCOCC1
InChIInChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2
InChIKeyKFRQROSRKSVROW-UHFFFAOYSA-N
XLogP0.70
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone?
The IUPAC name of 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone (CID 3323368) is 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone?
The canonical SMILES for 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone is O=C(c1ccc2nonc2c1)N1CCOCC1.
What is the InChIKey of 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone?
The InChIKey is KFRQROSRKSVROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-11(14-3-5-16-6-4-14)8-1-2-9-10(7-8)13-17-12-9/h1-2,7H,3-6H2.
What are the key properties of 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone?
2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone has a molecular weight of 233.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzoxadiazol-5-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 3323368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).