1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate

C20H19ClN2O4 — CID 55389896

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)COc3ccc(Cl)cc3C)o2)cc1
InChIInChI=1S/C20H19ClN2O4/c1-12-4-6-15(7-5-12)20-23-22-19(27-20)14(3)26-18(24)11-25-17-9-8-16(21)10-13(17)2/h4-10,14H,11H2,1-3H3
InChIKeyOPYZJUYOLHNIKS-UHFFFAOYSA-N
MW386.84 g/mol
LogP4.69
Rot. Bonds6

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate (PubChem CID 55389896) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
PubChem CID55389896
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)COc3ccc(Cl)cc3C)o2)cc1
InChIInChI=1S/C20H19ClN2O4/c1-12-4-6-15(7-5-12)20-23-22-19(27-20)14(3)26-18(24)11-25-17-9-8-16(21)10-13(17)2/h4-10,14H,11H2,1-3H3
InChIKeyOPYZJUYOLHNIKS-UHFFFAOYSA-N
XLogP4.69
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate (CID 55389896) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate is Cc1ccc(-c2nnc(C(C)OC(=O)COc3ccc(Cl)cc3C)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate?
The InChIKey is OPYZJUYOLHNIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12-4-6-15(7-5-12)20-23-22-19(27-20)14(3)26-18(24)11-25-17-9-8-16(21)10-13(17)2/h4-10,14H,11H2,1-3H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate has a molecular weight of 386.84 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate is sourced from PubChem (CID 55389896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).