N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide

C11H12N4O3 — CID 2823093

IUPACN-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2nonc2c1)N1CCOCC1
InChIInChI=1S/C11H12N4O3/c16-11(15-3-5-17-6-4-15)12-8-1-2-9-10(7-8)14-18-13-9/h1-2,7H,3-6H2,(H,12,16)
InChIKeyIWBRBVTYBSYUFS-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.09
Rot. Bonds1

About N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide

N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide (PubChem CID 2823093) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
PubChem CID2823093
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1ccc2nonc2c1)N1CCOCC1
InChIInChI=1S/C11H12N4O3/c16-11(15-3-5-17-6-4-15)12-8-1-2-9-10(7-8)14-18-13-9/h1-2,7H,3-6H2,(H,12,16)
InChIKeyIWBRBVTYBSYUFS-UHFFFAOYSA-N
XLogP1.09
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide (CID 2823093) is N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide is O=C(Nc1ccc2nonc2c1)N1CCOCC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide?
The InChIKey is IWBRBVTYBSYUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c16-11(15-3-5-17-6-4-15)12-8-1-2-9-10(7-8)14-18-13-9/h1-2,7H,3-6H2,(H,12,16).
What are the key properties of N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide?
N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide has a molecular weight of 248.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 2823093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).