[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate

C20H14N2O4 — CID 8894462

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COc1cccc2ccccc12)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C20H14N2O4/c23-19(12-24-18-7-3-5-14-4-1-2-6-17(14)18)26-16-10-8-15(9-11-16)20-22-21-13-25-20/h1-11,13H,12H2
InChIKeyQTQAZOWPGQQSAG-UHFFFAOYSA-N
MW346.34 g/mol
LogP3.87
Rot. Bonds5

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate (PubChem CID 8894462) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
PubChem CID8894462
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
SMILESO=C(COc1cccc2ccccc12)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C20H14N2O4/c23-19(12-24-18-7-3-5-14-4-1-2-6-17(14)18)26-16-10-8-15(9-11-16)20-22-21-13-25-20/h1-11,13H,12H2
InChIKeyQTQAZOWPGQQSAG-UHFFFAOYSA-N
XLogP3.87
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7984861
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
CID 7925435
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
CID 2547632
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(benzylcarbamoyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555973
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
[4-(4-methylphenyl)phenyl] 2-(2-methoxyphenoxy)acetate
CID 19179231
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate (CID 8894462) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate is O=C(COc1cccc2ccccc12)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate?
The InChIKey is QTQAZOWPGQQSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c23-19(12-24-18-7-3-5-14-4-1-2-6-17(14)18)26-16-10-8-15(9-11-16)20-22-21-13-25-20/h1-11,13H,12H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate has a molecular weight of 346.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 8894462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).