N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide

C18H16N4O6 — CID 19244424

IUPACN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C18H16N4O6/c1-11-9-14(26-2)7-8-15(11)17-18(21-28-20-17)19-16(23)10-27-13-5-3-12(4-6-13)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)
InChIKeyGPXNEAGANHWURN-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.98
Rot. Bonds7

About N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide

N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide (PubChem CID 19244424) has the molecular formula C18H16N4O6 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
PubChem CID19244424
Molecular FormulaC18H16N4O6
Molecular Weight384.35 g/mol
Exact Mass384.11
IUPAC NameN-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1
InChIInChI=1S/C18H16N4O6/c1-11-9-14(26-2)7-8-15(11)17-18(21-28-20-17)19-16(23)10-27-13-5-3-12(4-6-13)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23)
InChIKeyGPXNEAGANHWURN-UHFFFAOYSA-N
XLogP2.98
TPSA129.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 19244466
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 19244508
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2,2-diphenylacetamide
CID 19244479
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632419
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-nitrophenoxy)acetamide
CID 108738319
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 17012560

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide (CID 19244424) is N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide is COc1ccc(-c2nonc2NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1.
What is the InChIKey of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is GPXNEAGANHWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O6/c1-11-9-14(26-2)7-8-15(11)17-18(21-28-20-17)19-16(23)10-27-13-5-3-12(4-6-13)22(24)25/h3-9H,10H2,1-2H3,(H,19,21,23).
What are the key properties of N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide?
N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 384.35 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2-methylphenyl)-1,2,5-oxadiazol-3-yl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 19244424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).