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

C16H10Cl2N2O3 — CID 2547632

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H10Cl2N2O3/c17-13-6-1-10(7-14(13)18)8-15(21)23-12-4-2-11(3-5-12)16-20-19-9-22-16/h1-7,9H,8H2
InChIKeyMPZTWZUXXNGWGH-UHFFFAOYSA-N
MW349.17 g/mol
LogP4.19
Rot. Bonds4

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

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate (PubChem CID 2547632) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
PubChem CID2547632
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C16H10Cl2N2O3/c17-13-6-1-10(7-14(13)18)8-15(21)23-12-4-2-11(3-5-12)16-20-19-9-22-16/h1-7,9H,8H2
InChIKeyMPZTWZUXXNGWGH-UHFFFAOYSA-N
XLogP4.19
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-chloro-3-methylphenoxy)acetate
CID 7984861
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(2-chlorophenoxy)acetate
CID 8874039
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
(4-nitrophenyl) 2-(3,4-dichlorophenyl)acetate
CID 7900958
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate
CID 8893718
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate
CID 155267641
N-[(4-chlorophenyl)methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556147
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-naphthalen-1-yloxyacetate
CID 8894462
[4-(1,3,4-oxadiazol-2-yl)phenyl] 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 16595101
(2,5-dimethylphenyl) 2-(3,4-dichlorophenyl)acetate
CID 2470853
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 18275961

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate (CID 2547632) is [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate is O=C(Cc1ccc(Cl)c(Cl)c1)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate?
The InChIKey is MPZTWZUXXNGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-13-6-1-10(7-14(13)18)8-15(21)23-12-4-2-11(3-5-12)16-20-19-9-22-16/h1-7,9H,8H2.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate has a molecular weight of 349.17 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 2547632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).