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

C8H7N3O2 — CID 585399

IUPACN-(2,1,3-benzoxadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2nonc12
InChIInChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyJJHRQXVBTBBRGJ-UHFFFAOYSA-N
MW177.16 g/mol
LogP1.18
Rot. Bonds1

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

N-(2,1,3-benzoxadiazol-4-yl)acetamide (PubChem CID 585399) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)acetamide
PubChem CID585399
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)acetamide
SMILESCC(=O)Nc1cccc2nonc12
InChIInChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKeyJJHRQXVBTBBRGJ-UHFFFAOYSA-N
XLogP1.18
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
CID 135276709
N-(2,1,3-benzoxadiazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 4898255
N-(2,1,3-benzoxadiazol-4-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 25237894
N-(2,1,3-benzoxadiazol-4-yl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 25237897
N-(2,1,3-benzoxadiazol-4-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 4902362
N-(2,1,3-benzoxadiazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4895558
N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide
CID 86217537
N-(2,1,3-benzoxadiazol-4-yl)-5-(phenylsulfanylmethyl)furan-2-carboxamide
CID 4897775
N-(2,1,3-benzoxadiazol-4-yl)-2-[(4-methylphenoxy)methyl]furan-3-carboxamide
CID 4970557
N-(2,1,3-benzoxadiazol-4-yl)-1-(2,2-dichloro-1-methylcyclopropyl)methanesulfonamide
CID 154765972
N-(2-chloro-1,3-benzoxazol-4-yl)acetamide
CID 82394758
N-(2,1,3-benzoxadiazol-4-yl)-4-[(2,4-dioxo-3-propan-2-yl-1,3-thiazolidin-5-ylidene)methyl]benzamide
CID 4900548

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)acetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)acetamide (CID 585399) is N-(2,1,3-benzoxadiazol-4-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)acetamide is CC(=O)Nc1cccc2nonc12.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)acetamide?
The InChIKey is JJHRQXVBTBBRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-5(12)9-6-3-2-4-7-8(6)11-13-10-7/h2-4H,1H3,(H,9,12).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)acetamide?
N-(2,1,3-benzoxadiazol-4-yl)acetamide has a molecular weight of 177.16 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)acetamide is sourced from PubChem (CID 585399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).