1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate

C16H19ClN2O4 — CID 55545119

IUPAC1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H19ClN2O4/c1-10(14-18-15(19-23-14)16(2,3)4)22-13(20)9-21-12-7-5-11(17)6-8-12/h5-8,10H,9H2,1-4H3
InChIKeyKZVWFRBAQRNWIF-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate (PubChem CID 55545119) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
PubChem CID55545119
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1
InChIInChI=1S/C16H19ClN2O4/c1-10(14-18-15(19-23-14)16(2,3)4)22-13(20)9-21-12-7-5-11(17)6-8-12/h5-8,10H,9H2,1-4H3
InChIKeyKZVWFRBAQRNWIF-UHFFFAOYSA-N
XLogP3.70
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate (CID 55545119) is 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate is CC(OC(=O)COc1ccc(Cl)cc1)c1nc(C(C)(C)C)no1.
What is the InChIKey of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate?
The InChIKey is KZVWFRBAQRNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10(14-18-15(19-23-14)16(2,3)4)22-13(20)9-21-12-7-5-11(17)6-8-12/h5-8,10H,9H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate?
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate has a molecular weight of 338.79 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 55545119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).