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

C20H14N4O6 — CID 17359051

IUPACN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C20H14N4O6/c25-18(12-29-16-8-6-15(7-9-16)24(26)27)21-14-4-1-3-13(11-14)19-22-23-20(30-19)17-5-2-10-28-17/h1-11H,12H2,(H,21,25)
InChIKeyWAOSCALDPBHKDY-UHFFFAOYSA-N
MW406.35 g/mol
LogP3.92
Rot. Bonds7

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

N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 17359051) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID17359051
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC NameN-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
InChIInChI=1S/C20H14N4O6/c25-18(12-29-16-8-6-15(7-9-16)24(26)27)21-14-4-1-3-13(11-14)19-22-23-20(30-19)17-5-2-10-28-17/h1-11H,12H2,(H,21,25)
InChIKeyWAOSCALDPBHKDY-UHFFFAOYSA-N
XLogP3.92
TPSA133.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 53.92
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-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-[4-(2-methylbutan-2-yl)phenoxy]acetamide
CID 17018603
2-(4-bromophenoxy)-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1300223
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 1363218
2-(4-fluorophenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 17359046
2-(4-nitrophenoxy)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 108747829
2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-(3-fluorophenyl)-2-(4-nitrophenoxy)acetamide
CID 802614
[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl] acetate
CID 17341790
N-(3-ethylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632103
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 692406

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide (CID 17359051) is N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.
What is the InChIKey of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is WAOSCALDPBHKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c25-18(12-29-16-8-6-15(7-9-16)24(26)27)21-14-4-1-3-13(11-14)19-22-23-20(30-19)17-5-2-10-28-17/h1-11H,12H2,(H,21,25).
What are the key properties of N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide?
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 406.35 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 17359051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).