5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine

C18H19N3O2 — CID 86766146

IUPAC5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(C(C)Oc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21)
InChIKeyUGFZEFPJDVDEGL-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.57
Rot. Bonds5

About 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine

5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 86766146) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID86766146
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccc(Nc2nnc(C(C)Oc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21)
InChIKeyUGFZEFPJDVDEGL-UHFFFAOYSA-N
XLogP4.57
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine (CID 86766146) is 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine is Cc1ccc(Nc2nnc(C(C)Oc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is UGFZEFPJDVDEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-4-8-15(9-5-12)19-18-21-20-17(23-18)14(3)22-16-10-6-13(2)7-11-16/h4-11,14H,1-3H3,(H,19,21).
What are the key properties of 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine?
5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 309.37 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenoxy)ethyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86766146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).