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

C18H16N4O5 — CID 7556246

IUPACN-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C18H16N4O5/c1-11-7-15(16(22(24)25)8-12(11)2)20-17(23)9-26-14-5-3-13(4-6-14)18-21-19-10-27-18/h3-8,10H,9H2,1-2H3,(H,20,23)
InChIKeyZXMMQOFOIFSNNA-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.28
Rot. Bonds6

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

N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 7556246) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID7556246
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])cc1C
InChIInChI=1S/C18H16N4O5/c1-11-7-15(16(22(24)25)8-12(11)2)20-17(23)9-26-14-5-3-13(4-6-14)18-21-19-10-27-18/h3-8,10H,9H2,1-2H3,(H,20,23)
InChIKeyZXMMQOFOIFSNNA-UHFFFAOYSA-N
XLogP3.28
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.28
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

N-(2,3-dimethylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7908220
N-(2-bromo-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556220
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368813
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 7744172
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8924023
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556213
N-(3,4-diethoxyphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556124

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 7556246) is N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is Cc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is ZXMMQOFOIFSNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11-7-15(16(22(24)25)8-12(11)2)20-17(23)9-26-14-5-3-13(4-6-14)18-21-19-10-27-18/h3-8,10H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 368.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 7556246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).