2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide

C11H10N4O5 — CID 56783313

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
SMILESCc1noc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N4O5/c1-7-12-11(20-14-7)19-6-10(16)13-8-2-4-9(5-3-8)15(17)18/h2-5H,6H2,1H3,(H,13,16)
InChIKeyAQEQXXOBMHHUOF-UHFFFAOYSA-N
MW278.22 g/mol
LogP1.30
Rot. Bonds5

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide (PubChem CID 56783313) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
PubChem CID56783313
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide
SMILESCc1noc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1
InChIInChI=1S/C11H10N4O5/c1-7-12-11(20-14-7)19-6-10(16)13-8-2-4-9(5-3-8)15(17)18/h2-5H,6H2,1H3,(H,13,16)
InChIKeyAQEQXXOBMHHUOF-UHFFFAOYSA-N
XLogP1.30
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 1295054
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-(4-nitrophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 2791138
2-(2-methyl-4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 19237183
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide (CID 56783313) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide is Cc1noc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide?
The InChIKey is AQEQXXOBMHHUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-7-12-11(20-14-7)19-6-10(16)13-8-2-4-9(5-3-8)15(17)18/h2-5H,6H2,1H3,(H,13,16).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide has a molecular weight of 278.22 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 56783313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).