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

C17H14N4O5 — CID 55602705

IUPACN-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESCc1c(NC(=O)COc2nnc(-c3ccccc3)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O5/c1-11-13(8-5-9-14(11)21(23)24)18-15(22)10-25-17-20-19-16(26-17)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,18,22)
InChIKeyGPAWJYGGODJPLU-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.97
Rot. Bonds6

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

N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (PubChem CID 55602705) has the molecular formula C17H14N4O5 and a molecular weight of 354.32 g/mol. Its IUPAC name is N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
PubChem CID55602705
Molecular FormulaC17H14N4O5
Molecular Weight354.32 g/mol
Exact Mass354.10
IUPAC NameN-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
SMILESCc1c(NC(=O)COc2nnc(-c3ccccc3)o2)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H14N4O5/c1-11-13(8-5-9-14(11)21(23)24)18-15(22)10-25-17-20-19-16(26-17)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,18,22)
InChIKeyGPAWJYGGODJPLU-UHFFFAOYSA-N
XLogP2.97
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.97
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-(2-methyl-3-nitroanilino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 46815946
N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
4-[2-(2-methyl-3-nitroanilino)-2-oxoethoxy]benzamide
CID 31732776
2-anilino-N-(2-methyl-3-nitrophenyl)acetamide
CID 60646897
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 4317308
N-(2-methyl-3-nitrophenyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3604653
2-(2-methoxyethoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 103606726
(2-methyl-3-nitrophenyl)urea
CID 22416531
N-(2-methyl-3-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 18190903
[2-(2-nitroanilino)-2-oxoethyl] 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 55427868

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The IUPAC name of N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide (CID 55602705) is N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The canonical SMILES for N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is Cc1c(NC(=O)COc2nnc(-c3ccccc3)o2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
The InChIKey is GPAWJYGGODJPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5/c1-11-13(8-5-9-14(11)21(23)24)18-15(22)10-25-17-20-19-16(26-17)12-6-3-2-4-7-12/h2-9H,10H2,1H3,(H,18,22).
What are the key properties of N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide?
N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide has a molecular weight of 354.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-nitrophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide is sourced from PubChem (CID 55602705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).