[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate

C17H12ClFN2O3 — CID 9417917

IUPAC[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H12ClFN2O3/c18-13-3-1-2-12(9-13)17-20-15(24-21-17)10-23-16(22)8-11-4-6-14(19)7-5-11/h1-7,9H,8,10H2
InChIKeyNCQBZMYQKOZRSY-UHFFFAOYSA-N
MW346.75 g/mol
LogP3.82
Rot. Bonds5

About [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate

[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate (PubChem CID 9417917) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate
PubChem CID9417917
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate
SMILESO=C(Cc1ccc(F)cc1)OCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H12ClFN2O3/c18-13-3-1-2-12(9-13)17-20-15(24-21-17)10-23-16(22)8-11-4-6-14(19)7-5-11/h1-7,9H,8,10H2
InChIKeyNCQBZMYQKOZRSY-UHFFFAOYSA-N
XLogP3.82
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate?
The IUPAC name of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate (CID 9417917) is [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate?
The canonical SMILES for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate is O=C(Cc1ccc(F)cc1)OCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate?
The InChIKey is NCQBZMYQKOZRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c18-13-3-1-2-12(9-13)17-20-15(24-21-17)10-23-16(22)8-11-4-6-14(19)7-5-11/h1-7,9H,8,10H2.
What are the key properties of [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate?
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate has a molecular weight of 346.75 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 9417917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).