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

C20H14N4O5 — CID 8891819

IUPAC2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H14N4O5/c25-18(12-28-17-9-8-13-4-1-2-5-14(13)11-17)21-20-23-22-19(29-20)15-6-3-7-16(10-15)24(26)27/h1-11H,12H2,(H,21,23,25)
InChIKeyWBWFILKDKCXHIM-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.82
Rot. Bonds6

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

2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 8891819) has the molecular formula C20H14N4O5 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID8891819
Molecular FormulaC20H14N4O5
Molecular Weight390.36 g/mol
Exact Mass390.10
IUPAC Name2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1
InChIInChI=1S/C20H14N4O5/c25-18(12-28-17-9-8-13-4-1-2-5-14(13)11-17)21-20-23-22-19(29-20)15-6-3-7-16(10-15)24(26)27/h1-11H,12H2,(H,21,23,25)
InChIKeyWBWFILKDKCXHIM-UHFFFAOYSA-N
XLogP3.82
TPSA120.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.82
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-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 3-nitrobenzoate
CID 7866102
2-naphthalen-2-yloxy-N-(3-nitrophenyl)sulfanylacetamide
CID 156858977
N-naphthalen-2-yl-2-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9343641
N-[(4-methoxyphenyl)methyl]-5-(3-nitrophenyl)-1,3,4-oxadiazol-2-amine
CID 142725456
2-naphthalen-2-yloxy-N-[[5-(3-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1237523
4-fluoro-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686369
2-(4-ethoxyphenoxy)-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972013
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583307
N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 43977317
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977425
3-(3-nitrophenyl)-N-(5-phenyl-1,3,4-oxadiazol-2-yl)prop-2-enamide
CID 4569571
N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-(4-nitrophenoxy)acetamide
CID 17359051

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 8891819) is 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide is O=C(COc1ccc2ccccc2c1)Nc1nnc(-c2cccc([N+](=O)[O-])c2)o1.
What is the InChIKey of 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is WBWFILKDKCXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O5/c25-18(12-28-17-9-8-13-4-1-2-5-14(13)11-17)21-20-23-22-19(29-20)15-6-3-7-16(10-15)24(26)27/h1-11H,12H2,(H,21,23,25).
What are the key properties of 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 390.36 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-N-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 8891819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).