N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide

C10H10N4O3 — CID 135276709

IUPACN-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2nonc12
InChIInChI=1S/C10H10N4O3/c1-5(15)11-7-3-4-8(12-6(2)16)10-9(7)13-17-14-10/h3-4H,1-2H3,(H,11,15)(H,12,16)
InChIKeyAEUJBIWAPSTNTE-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.14
Rot. Bonds2

About N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide

N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide (PubChem CID 135276709) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
PubChem CID135276709
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC NameN-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(C)=O)c2nonc12
InChIInChI=1S/C10H10N4O3/c1-5(15)11-7-3-4-8(12-6(2)16)10-9(7)13-17-14-10/h3-4H,1-2H3,(H,11,15)(H,12,16)
InChIKeyAEUJBIWAPSTNTE-UHFFFAOYSA-N
XLogP1.14
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzoxadiazol-4-yl)acetamide
CID 585399
N-(4-acetamido-1,2,5-oxadiazol-3-yl)acetamide
CID 654039
N-[5-(dimethylamino)-2,1,3-benzoxadiazol-4-yl]acetamide
CID 86217537
1-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]propan-2-one
CID 89125533
N-[4-(benzenesulfonyl)-2,1,3-benzoxadiazol-7-yl]benzamide
CID 10691115
N-(3,4-difluoro-2-trimethylsilylphenyl)acetamide
CID 101479656
N-(2-chloro-1,3-benzoxazol-4-yl)acetamide
CID 82394758
N-(3,4-dibromo-2-methylphenyl)acetamide
CID 131862600
2-[2-[(4-chloro-2,1,3-benzoxadiazol-7-yl)amino]-2-oxoethyl]benzoic acid
CID 56762052
2-[(7-amino-2,1,3-benzoxadiazol-4-yl)amino]-N-tert-butylacetamide
CID 115356002
N-[[4-[2-[[4-(hydroxyamino)-2,1,3-benzoxadiazol-7-yl]amino]phenyl]phenyl]methyl]acetamide
CID 163559598
2-methyl-N-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)benzamide
CID 17173694

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide?
The IUPAC name of N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide (CID 135276709) is N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide.
What is the SMILES notation for N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide?
The canonical SMILES for N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide is CC(=O)Nc1ccc(NC(C)=O)c2nonc12.
What is the InChIKey of N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide?
The InChIKey is AEUJBIWAPSTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5(15)11-7-3-4-8(12-6(2)16)10-9(7)13-17-14-10/h3-4H,1-2H3,(H,11,15)(H,12,16).
What are the key properties of N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide?
N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide has a molecular weight of 234.22 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-2,1,3-benzoxadiazol-7-yl)acetamide is sourced from PubChem (CID 135276709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).