N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

C14H18N4O3 — CID 25237894

IUPACN-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccc3nonc23)CC(C)O1
InChIInChI=1S/C14H18N4O3/c1-9-6-18(7-10(2)20-9)8-13(19)15-11-4-3-5-12-14(11)17-21-16-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,19)
InChIKeyJKZMWJHBBVOFMO-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.27
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide

N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (PubChem CID 25237894) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
PubChem CID25237894
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccc3nonc23)CC(C)O1
InChIInChI=1S/C14H18N4O3/c1-9-6-18(7-10(2)20-9)8-13(19)15-11-4-3-5-12-14(11)17-21-16-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,19)
InChIKeyJKZMWJHBBVOFMO-UHFFFAOYSA-N
XLogP1.27
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 25237897
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
N-(2,1,3-benzoxadiazol-4-yl)acetamide
CID 585399
N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-(2,1,3-benzoxadiazol-4-yl)-2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149224
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
2-(2,6-dimethylmorpholin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4882751
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-iodo-2-methylphenyl)acetamide
CID 8899909
2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935529

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide (CID 25237894) is N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is CC1CN(CC(=O)Nc2cccc3nonc23)CC(C)O1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
The InChIKey is JKZMWJHBBVOFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-9-6-18(7-10(2)20-9)8-13(19)15-11-4-3-5-12-14(11)17-21-16-12/h3-5,9-10H,6-8H2,1-2H3,(H,15,19).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide?
N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide is sourced from PubChem (CID 25237894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).