N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide

C10H12N4O2 — CID 86217537

IUPACN-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide
SMILESCC(=O)Nc1c(N(C)C)ccc2nonc12
InChIInChI=1S/C10H12N4O2/c1-6(15)11-10-8(14(2)3)5-4-7-9(10)13-16-12-7/h4-5H,1-3H3,(H,11,15)
InChIKeyYRGFKGIHDDTJEF-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.25
Rot. Bonds2

About N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide

N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide (PubChem CID 86217537) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide
PubChem CID86217537
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide
SMILESCC(=O)Nc1c(N(C)C)ccc2nonc12
InChIInChI=1S/C10H12N4O2/c1-6(15)11-10-8(14(2)3)5-4-7-9(10)13-16-12-7/h4-5H,1-3H3,(H,11,15)
InChIKeyYRGFKGIHDDTJEF-UHFFFAOYSA-N
XLogP1.25
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
CID 135276709
N-(7-bromo-5-hydroxy-2,1,3-benzoxadiazol-4-yl)acetamide
CID 135463061
N-(4-acetamido-1,2,5-oxadiazol-3-yl)acetamide
CID 654039
7-(dimethylamino)-2,1,3-benzoxadiazole-4-sulfonate
CID 102465984
dimethyl (E)-2-[(5-nitro-2,1,3-benzoxadiazol-4-yl)amino]but-2-enedioate
CID 168567266
N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 4898255
1,3-bis(2,1,3-benzoxadiazol-5-yl)urea
CID 69090481
methyl 3-[4-[(4-fluorophenyl)methyl-methylamino]-2,1,3-benzoxadiazol-6-yl]prop-2-ynoate
CID 118391542
N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
5-fluoro-2,1,3-benzoxadiazol-4-amine
CID 130649170
5-bromo-4-methyl-2,1,3-benzoxadiazole
CID 90403897

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide?
The IUPAC name of N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide (CID 86217537) is N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide?
The canonical SMILES for N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide is CC(=O)Nc1c(N(C)C)ccc2nonc12.
What is the InChIKey of N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide?
The InChIKey is YRGFKGIHDDTJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6(15)11-10-8(14(2)3)5-4-7-9(10)13-16-12-7/h4-5H,1-3H3,(H,11,15).
What are the key properties of N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide?
N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide has a molecular weight of 220.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide is sourced from PubChem (CID 86217537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).