[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate

C16H11ClN2O4 — CID 8874039

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11ClN2O4/c17-13-3-1-2-4-14(13)21-9-15(20)23-12-7-5-11(6-8-12)16-19-18-10-22-16/h1-8,10H,9H2
InChIKeyYFWAYRGXKHPHHE-UHFFFAOYSA-N
MW330.73 g/mol
LogP3.37
Rot. Bonds5

About [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate (PubChem CID 8874039) has the molecular formula C16H11ClN2O4 and a molecular weight of 330.73 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
PubChem CID8874039
Molecular FormulaC16H11ClN2O4
Molecular Weight330.73 g/mol
Exact Mass330.04
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
SMILESO=C(COc1ccccc1Cl)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H11ClN2O4/c17-13-3-1-2-4-14(13)21-9-15(20)23-12-7-5-11(6-8-12)16-19-18-10-22-16/h1-8,10H,9H2
InChIKeyYFWAYRGXKHPHHE-UHFFFAOYSA-N
XLogP3.37
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 53.37
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-naphthalen-1-yloxyacetate
CID 8894462
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7984861
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
CID 2547632
methyl 2-[2-chloro-4-(1,3,4-oxadiazol-2-yl)phenoxy]acetate
CID 117063330
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
1,3-benzodioxol-5-yl 2-(2-chlorophenoxy)acetate
CID 8766455
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
CID 7925435
[4-(1,3,4-oxadiazol-2-yl)phenyl] N,N-diphenylcarbamate
CID 1178331
[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl] 2-(2-chlorophenoxy)acetate
CID 8641389
(2-chlorophenyl) 2-(4-methoxyphenoxy)acetate
CID 733471
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
(2S)-N-[(2-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851774

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate (CID 8874039) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate is O=C(COc1ccccc1Cl)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is YFWAYRGXKHPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O4/c17-13-3-1-2-4-14(13)21-9-15(20)23-12-7-5-11(6-8-12)16-19-18-10-22-16/h1-8,10H,9H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 330.73 g/mol, XLogP of 3.37, 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-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8874039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).